# generated using pymatgen
data_Ni2Mo4C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.31296583
_cell_length_b   11.31296583
_cell_length_c   11.31296583
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Mo4C
_chemical_formula_sum   'Ni32 Mo64 C16'
_cell_volume   1447.86952170
_cell_formula_units_Z   16
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.08289600  0.08289600  0.91710400  1
  Ni  Ni1  1  0.83289600  0.33289600  0.83289600  1
  Ni  Ni2  1  0.91710400  0.08289600  0.08289600  1
  Ni  Ni3  1  0.66710400  0.83289600  0.16710400  1
  Ni  Ni4  1  0.83289600  0.16710400  0.66710400  1
  Ni  Ni5  1  0.66710400  0.16710400  0.83289600  1
  Ni  Ni6  1  0.91710400  0.91710400  0.91710400  1
  Ni  Ni7  1  0.08289600  0.41710400  0.58289600  1
  Ni  Ni8  1  0.08289600  0.58289600  0.41710400  1
  Ni  Ni9  1  0.83289600  0.83289600  0.33289600  1
  Ni  Ni10  1  0.91710400  0.58289600  0.58289600  1
  Ni  Ni11  1  0.66710400  0.33289600  0.66710400  1
  Ni  Ni12  1  0.83289600  0.66710400  0.16710400  1
  Ni  Ni13  1  0.66710400  0.66710400  0.33289600  1
  Ni  Ni14  1  0.91710400  0.41710400  0.41710400  1
  Ni  Ni15  1  0.08289600  0.91710400  0.08289600  1
  Ni  Ni16  1  0.58289600  0.08289600  0.41710400  1
  Ni  Ni17  1  0.33289600  0.33289600  0.33289600  1
  Ni  Ni18  1  0.41710400  0.08289600  0.58289600  1
  Ni  Ni19  1  0.16710400  0.83289600  0.66710400  1
  Ni  Ni20  1  0.33289600  0.16710400  0.16710400  1
  Ni  Ni21  1  0.16710400  0.16710400  0.33289600  1
  Ni  Ni22  1  0.41710400  0.91710400  0.41710400  1
  Ni  Ni23  1  0.58289600  0.41710400  0.08289600  1
  Ni  Ni24  1  0.58289600  0.58289600  0.91710400  1
  Ni  Ni25  1  0.33289600  0.83289600  0.83289600  1
  Ni  Ni26  1  0.41710400  0.58289600  0.08289600  1
  Ni  Ni27  1  0.16710400  0.33289600  0.16710400  1
  Ni  Ni28  1  0.33289600  0.66710400  0.66710400  1
  Ni  Ni29  1  0.16710400  0.66710400  0.83289600  1
  Ni  Ni30  1  0.41710400  0.41710400  0.91710400  1
  Ni  Ni31  1  0.58289600  0.91710400  0.58289600  1
  Mo  Mo32  1  0.62500000  0.62500000  0.12500000  1
  Mo  Mo33  1  0.31032500  0.50000000  0.50000000  1
  Mo  Mo34  1  0.75000000  0.75000000  0.93967500  1
  Mo  Mo35  1  0.00000000  0.00000000  0.68967500  1
  Mo  Mo36  1  0.00000000  0.18967500  0.50000000  1
  Mo  Mo37  1  0.00000000  0.31032500  0.00000000  1
  Mo  Mo38  1  0.75000000  0.06032500  0.25000000  1
  Mo  Mo39  1  0.43967500  0.75000000  0.25000000  1
  Mo  Mo40  1  0.06032500  0.25000000  0.75000000  1
  Mo  Mo41  1  0.75000000  0.93967500  0.75000000  1
  Mo  Mo42  1  0.00000000  0.50000000  0.81032500  1
  Mo  Mo43  1  0.75000000  0.25000000  0.06032500  1
  Mo  Mo44  1  0.12500000  0.87500000  0.87500000  1
  Mo  Mo45  1  0.87500000  0.87500000  0.12500000  1
  Mo  Mo46  1  0.87500000  0.12500000  0.87500000  1
  Mo  Mo47  1  0.68967500  0.00000000  0.00000000  1
  Mo  Mo48  1  0.62500000  0.12500000  0.62500000  1
  Mo  Mo49  1  0.31032500  0.00000000  0.00000000  1
  Mo  Mo50  1  0.75000000  0.25000000  0.43967500  1
  Mo  Mo51  1  0.00000000  0.50000000  0.18967500  1
  Mo  Mo52  1  0.00000000  0.68967500  0.00000000  1
  Mo  Mo53  1  0.00000000  0.81032500  0.50000000  1
  Mo  Mo54  1  0.75000000  0.56032500  0.75000000  1
  Mo  Mo55  1  0.43967500  0.25000000  0.75000000  1
  Mo  Mo56  1  0.06032500  0.75000000  0.25000000  1
  Mo  Mo57  1  0.75000000  0.43967500  0.25000000  1
  Mo  Mo58  1  0.00000000  0.00000000  0.31032500  1
  Mo  Mo59  1  0.75000000  0.75000000  0.56032500  1
  Mo  Mo60  1  0.12500000  0.37500000  0.37500000  1
  Mo  Mo61  1  0.87500000  0.37500000  0.62500000  1
  Mo  Mo62  1  0.87500000  0.62500000  0.37500000  1
  Mo  Mo63  1  0.68967500  0.50000000  0.50000000  1
  Mo  Mo64  1  0.12500000  0.62500000  0.62500000  1
  Mo  Mo65  1  0.81032500  0.50000000  0.00000000  1
  Mo  Mo66  1  0.25000000  0.75000000  0.43967500  1
  Mo  Mo67  1  0.50000000  0.00000000  0.18967500  1
  Mo  Mo68  1  0.50000000  0.18967500  0.00000000  1
  Mo  Mo69  1  0.50000000  0.31032500  0.50000000  1
  Mo  Mo70  1  0.25000000  0.06032500  0.75000000  1
  Mo  Mo71  1  0.93967500  0.75000000  0.75000000  1
  Mo  Mo72  1  0.56032500  0.25000000  0.25000000  1
  Mo  Mo73  1  0.25000000  0.93967500  0.25000000  1
  Mo  Mo74  1  0.50000000  0.50000000  0.31032500  1
  Mo  Mo75  1  0.25000000  0.25000000  0.56032500  1
  Mo  Mo76  1  0.62500000  0.87500000  0.37500000  1
  Mo  Mo77  1  0.37500000  0.87500000  0.62500000  1
  Mo  Mo78  1  0.37500000  0.12500000  0.37500000  1
  Mo  Mo79  1  0.18967500  0.00000000  0.50000000  1
  Mo  Mo80  1  0.12500000  0.12500000  0.12500000  1
  Mo  Mo81  1  0.81032500  0.00000000  0.50000000  1
  Mo  Mo82  1  0.25000000  0.25000000  0.93967500  1
  Mo  Mo83  1  0.50000000  0.50000000  0.68967500  1
  Mo  Mo84  1  0.50000000  0.68967500  0.50000000  1
  Mo  Mo85  1  0.50000000  0.81032500  0.00000000  1
  Mo  Mo86  1  0.25000000  0.56032500  0.25000000  1
  Mo  Mo87  1  0.93967500  0.25000000  0.25000000  1
  Mo  Mo88  1  0.56032500  0.75000000  0.75000000  1
  Mo  Mo89  1  0.25000000  0.43967500  0.75000000  1
  Mo  Mo90  1  0.50000000  0.00000000  0.81032500  1
  Mo  Mo91  1  0.25000000  0.75000000  0.06032500  1
  Mo  Mo92  1  0.62500000  0.37500000  0.87500000  1
  Mo  Mo93  1  0.37500000  0.37500000  0.12500000  1
  Mo  Mo94  1  0.37500000  0.62500000  0.87500000  1
  Mo  Mo95  1  0.18967500  0.50000000  0.00000000  1
  C  C96  1  0.12500000  0.12500000  0.62500000  1
  C  C97  1  0.87500000  0.87500000  0.62500000  1
  C  C98  1  0.62500000  0.87500000  0.87500000  1
  C  C99  1  0.87500000  0.62500000  0.87500000  1
  C  C100  1  0.12500000  0.62500000  0.12500000  1
  C  C101  1  0.87500000  0.37500000  0.12500000  1
  C  C102  1  0.62500000  0.37500000  0.37500000  1
  C  C103  1  0.87500000  0.12500000  0.37500000  1
  C  C104  1  0.62500000  0.12500000  0.12500000  1
  C  C105  1  0.37500000  0.87500000  0.12500000  1
  C  C106  1  0.12500000  0.87500000  0.37500000  1
  C  C107  1  0.37500000  0.62500000  0.37500000  1
  C  C108  1  0.62500000  0.62500000  0.62500000  1
  C  C109  1  0.37500000  0.37500000  0.62500000  1
  C  C110  1  0.12500000  0.37500000  0.87500000  1
  C  C111  1  0.37500000  0.12500000  0.87500000  1
