# generated using pymatgen
data_Ni6Mo6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.91071080
_cell_length_b   10.91071080
_cell_length_c   10.91071080
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni6Mo6C
_chemical_formula_sum   'Ni48 Mo48 C8'
_cell_volume   1298.85040306
_cell_formula_units_Z   8
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  0.66646300  0.16646300  0.83353700  1
  Ni  Ni1  1  0.83353700  0.33353700  0.83353700  1
  Ni  Ni2  1  0.91646300  0.08353700  0.08353700  1
  Ni  Ni3  1  0.91646300  0.91646300  0.91646300  1
  Ni  Ni4  1  0.83353700  0.16646300  0.66646300  1
  Ni  Ni5  1  0.66646300  0.83353700  0.16646300  1
  Ni  Ni6  1  0.87500000  0.12500000  0.87500000  1
  Ni  Ni7  1  0.87500000  0.87500000  0.12500000  1
  Ni  Ni8  1  0.12500000  0.87500000  0.87500000  1
  Ni  Ni9  1  0.62500000  0.62500000  0.12500000  1
  Ni  Ni10  1  0.08353700  0.08353700  0.91646300  1
  Ni  Ni11  1  0.08353700  0.41646300  0.58353700  1
  Ni  Ni12  1  0.66646300  0.66646300  0.33353700  1
  Ni  Ni13  1  0.83353700  0.83353700  0.33353700  1
  Ni  Ni14  1  0.91646300  0.58353700  0.58353700  1
  Ni  Ni15  1  0.91646300  0.41646300  0.41646300  1
  Ni  Ni16  1  0.83353700  0.66646300  0.16646300  1
  Ni  Ni17  1  0.66646300  0.33353700  0.66646300  1
  Ni  Ni18  1  0.87500000  0.62500000  0.37500000  1
  Ni  Ni19  1  0.87500000  0.37500000  0.62500000  1
  Ni  Ni20  1  0.12500000  0.37500000  0.37500000  1
  Ni  Ni21  1  0.62500000  0.12500000  0.62500000  1
  Ni  Ni22  1  0.08353700  0.58353700  0.41646300  1
  Ni  Ni23  1  0.08353700  0.91646300  0.08353700  1
  Ni  Ni24  1  0.16646300  0.16646300  0.33353700  1
  Ni  Ni25  1  0.33353700  0.33353700  0.33353700  1
  Ni  Ni26  1  0.41646300  0.08353700  0.58353700  1
  Ni  Ni27  1  0.41646300  0.91646300  0.41646300  1
  Ni  Ni28  1  0.33353700  0.16646300  0.16646300  1
  Ni  Ni29  1  0.16646300  0.83353700  0.66646300  1
  Ni  Ni30  1  0.37500000  0.12500000  0.37500000  1
  Ni  Ni31  1  0.37500000  0.87500000  0.62500000  1
  Ni  Ni32  1  0.62500000  0.87500000  0.37500000  1
  Ni  Ni33  1  0.12500000  0.62500000  0.62500000  1
  Ni  Ni34  1  0.58353700  0.08353700  0.41646300  1
  Ni  Ni35  1  0.58353700  0.41646300  0.08353700  1
  Ni  Ni36  1  0.16646300  0.66646300  0.83353700  1
  Ni  Ni37  1  0.33353700  0.83353700  0.83353700  1
  Ni  Ni38  1  0.41646300  0.58353700  0.08353700  1
  Ni  Ni39  1  0.41646300  0.41646300  0.91646300  1
  Ni  Ni40  1  0.33353700  0.66646300  0.66646300  1
  Ni  Ni41  1  0.16646300  0.33353700  0.16646300  1
  Ni  Ni42  1  0.37500000  0.62500000  0.87500000  1
  Ni  Ni43  1  0.37500000  0.37500000  0.12500000  1
  Ni  Ni44  1  0.62500000  0.37500000  0.87500000  1
  Ni  Ni45  1  0.12500000  0.12500000  0.12500000  1
  Ni  Ni46  1  0.58353700  0.58353700  0.91646300  1
  Ni  Ni47  1  0.58353700  0.91646300  0.58353700  1
  Mo  Mo48  1  0.69806700  0.00000000  0.00000000  1
  Mo  Mo49  1  0.00000000  0.00000000  0.69806700  1
  Mo  Mo50  1  0.00000000  0.19806700  0.50000000  1
  Mo  Mo51  1  0.00000000  0.30193300  0.00000000  1
  Mo  Mo52  1  0.75000000  0.05193300  0.25000000  1
  Mo  Mo53  1  0.44806700  0.75000000  0.25000000  1
  Mo  Mo54  1  0.05193300  0.25000000  0.75000000  1
  Mo  Mo55  1  0.75000000  0.94806700  0.75000000  1
  Mo  Mo56  1  0.00000000  0.50000000  0.80193300  1
  Mo  Mo57  1  0.75000000  0.25000000  0.05193300  1
  Mo  Mo58  1  0.75000000  0.75000000  0.94806700  1
  Mo  Mo59  1  0.30193300  0.50000000  0.50000000  1
  Mo  Mo60  1  0.69806700  0.50000000  0.50000000  1
  Mo  Mo61  1  0.00000000  0.50000000  0.19806700  1
  Mo  Mo62  1  0.00000000  0.69806700  0.00000000  1
  Mo  Mo63  1  0.00000000  0.80193300  0.50000000  1
  Mo  Mo64  1  0.75000000  0.55193300  0.75000000  1
  Mo  Mo65  1  0.44806700  0.25000000  0.75000000  1
  Mo  Mo66  1  0.05193300  0.75000000  0.25000000  1
  Mo  Mo67  1  0.75000000  0.44806700  0.25000000  1
  Mo  Mo68  1  0.00000000  0.00000000  0.30193300  1
  Mo  Mo69  1  0.75000000  0.75000000  0.55193300  1
  Mo  Mo70  1  0.75000000  0.25000000  0.44806700  1
  Mo  Mo71  1  0.30193300  0.00000000  0.00000000  1
  Mo  Mo72  1  0.19806700  0.00000000  0.50000000  1
  Mo  Mo73  1  0.50000000  0.00000000  0.19806700  1
  Mo  Mo74  1  0.50000000  0.19806700  0.00000000  1
  Mo  Mo75  1  0.50000000  0.30193300  0.50000000  1
  Mo  Mo76  1  0.25000000  0.05193300  0.75000000  1
  Mo  Mo77  1  0.94806700  0.75000000  0.75000000  1
  Mo  Mo78  1  0.55193300  0.25000000  0.25000000  1
  Mo  Mo79  1  0.25000000  0.94806700  0.25000000  1
  Mo  Mo80  1  0.50000000  0.50000000  0.30193300  1
  Mo  Mo81  1  0.25000000  0.25000000  0.55193300  1
  Mo  Mo82  1  0.25000000  0.75000000  0.44806700  1
  Mo  Mo83  1  0.80193300  0.50000000  0.00000000  1
  Mo  Mo84  1  0.19806700  0.50000000  0.00000000  1
  Mo  Mo85  1  0.50000000  0.50000000  0.69806700  1
  Mo  Mo86  1  0.50000000  0.69806700  0.50000000  1
  Mo  Mo87  1  0.50000000  0.80193300  0.00000000  1
  Mo  Mo88  1  0.25000000  0.55193300  0.25000000  1
  Mo  Mo89  1  0.94806700  0.25000000  0.25000000  1
  Mo  Mo90  1  0.55193300  0.75000000  0.75000000  1
  Mo  Mo91  1  0.25000000  0.44806700  0.75000000  1
  Mo  Mo92  1  0.50000000  0.00000000  0.80193300  1
  Mo  Mo93  1  0.25000000  0.75000000  0.05193300  1
  Mo  Mo94  1  0.25000000  0.25000000  0.94806700  1
  Mo  Mo95  1  0.80193300  0.00000000  0.50000000  1
  C  C96  1  0.50000000  0.00000000  0.00000000  1
  C  C97  1  0.25000000  0.25000000  0.75000000  1
  C  C98  1  0.50000000  0.50000000  0.50000000  1
  C  C99  1  0.25000000  0.75000000  0.25000000  1
  C  C100  1  0.00000000  0.00000000  0.50000000  1
  C  C101  1  0.75000000  0.25000000  0.25000000  1
  C  C102  1  0.00000000  0.50000000  0.00000000  1
  C  C103  1  0.75000000  0.75000000  0.75000000  1
