# generated using pymatgen
data_Ga21Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.94096369
_cell_length_b   14.03079979
_cell_length_c   8.56635010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga21Ni5
_chemical_formula_sum   'Ga84 Ni20'
_cell_volume   1675.60266853
_cell_formula_units_Z   4
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
  Ga  Ga0  1  0.66293300  0.81644000  0.16008500  1
  Ga  Ga1  1  0.47504300  0.16910400  0.00000000  1
  Ga  Ga2  1  0.66293300  0.31644000  0.33991500  1
  Ga  Ga3  1  0.83942100  0.15968200  0.31808500  1
  Ga  Ga4  1  0.52334000  0.00000000  0.18308500  1
  Ga  Ga5  1  0.83942100  0.84031800  0.31808500  1
  Ga  Ga6  1  0.83942100  0.34031800  0.18191500  1
  Ga  Ga7  1  0.02334000  0.00000000  0.31691500  1
  Ga  Ga8  1  0.83942100  0.65968200  0.18191500  1
  Ga  Ga9  1  0.66293300  0.68356000  0.33991500  1
  Ga  Ga10  1  0.47504300  0.83089600  0.00000000  1
  Ga  Ga11  1  0.66293300  0.18356000  0.16008500  1
  Ga  Ga12  1  0.85400300  0.86101500  0.00000000  1
  Ga  Ga13  1  0.64974400  0.00000000  0.37354600  1
  Ga  Ga14  1  0.14974400  0.00000000  0.12645400  1
  Ga  Ga15  1  0.85400300  0.13898500  0.00000000  1
  Ga  Ga16  1  0.16309300  0.16031200  0.00000000  1
  Ga  Ga17  1  0.84032000  0.00000000  0.15816400  1
  Ga  Ga18  1  0.34032000  0.00000000  0.34183600  1
  Ga  Ga19  1  0.16309300  0.83968800  0.00000000  1
  Ga  Ga20  1  0.63715700  0.00000000  0.00000000  1
  Ga  Ga21  1  0.16293300  0.81644000  0.66008500  1
  Ga  Ga22  1  0.97504300  0.16910400  0.50000000  1
  Ga  Ga23  1  0.16293300  0.31644000  0.83991500  1
  Ga  Ga24  1  0.33942100  0.15968200  0.81808500  1
  Ga  Ga25  1  0.02334000  0.00000000  0.68308500  1
  Ga  Ga26  1  0.33942100  0.84031800  0.81808500  1
  Ga  Ga27  1  0.33942100  0.34031800  0.68191500  1
  Ga  Ga28  1  0.52334000  0.00000000  0.81691500  1
  Ga  Ga29  1  0.33942100  0.65968200  0.68191500  1
  Ga  Ga30  1  0.16293300  0.68356000  0.83991500  1
  Ga  Ga31  1  0.97504300  0.83089600  0.50000000  1
  Ga  Ga32  1  0.16293300  0.18356000  0.66008500  1
  Ga  Ga33  1  0.35400300  0.86101500  0.50000000  1
  Ga  Ga34  1  0.14974400  0.00000000  0.87354600  1
  Ga  Ga35  1  0.64974400  0.00000000  0.62645400  1
  Ga  Ga36  1  0.35400300  0.13898500  0.50000000  1
  Ga  Ga37  1  0.66309300  0.16031200  0.50000000  1
  Ga  Ga38  1  0.34032000  0.00000000  0.65816400  1
  Ga  Ga39  1  0.84032000  0.00000000  0.84183600  1
  Ga  Ga40  1  0.66309300  0.83968800  0.50000000  1
  Ga  Ga41  1  0.13715700  0.00000000  0.50000000  1
  Ga  Ga42  1  0.16293300  0.31644000  0.16008500  1
  Ga  Ga43  1  0.97504300  0.66910400  0.00000000  1
  Ga  Ga44  1  0.16293300  0.81644000  0.33991500  1
  Ga  Ga45  1  0.33942100  0.65968200  0.31808500  1
  Ga  Ga46  1  0.02334000  0.50000000  0.18308500  1
  Ga  Ga47  1  0.33942100  0.34031800  0.31808500  1
  Ga  Ga48  1  0.33942100  0.84031800  0.18191500  1
  Ga  Ga49  1  0.52334000  0.50000000  0.31691500  1
  Ga  Ga50  1  0.33942100  0.15968200  0.18191500  1
  Ga  Ga51  1  0.16293300  0.18356000  0.33991500  1
  Ga  Ga52  1  0.97504300  0.33089600  0.00000000  1
  Ga  Ga53  1  0.16293300  0.68356000  0.16008500  1
  Ga  Ga54  1  0.35400300  0.36101500  0.00000000  1
  Ga  Ga55  1  0.14974400  0.50000000  0.37354600  1
  Ga  Ga56  1  0.64974400  0.50000000  0.12645400  1
  Ga  Ga57  1  0.35400300  0.63898500  0.00000000  1
  Ga  Ga58  1  0.66309300  0.66031200  0.00000000  1
  Ga  Ga59  1  0.34032000  0.50000000  0.15816400  1
  Ga  Ga60  1  0.84032000  0.50000000  0.34183600  1
  Ga  Ga61  1  0.66309300  0.33968800  0.00000000  1
  Ga  Ga62  1  0.13715700  0.50000000  0.00000000  1
  Ga  Ga63  1  0.66293300  0.31644000  0.66008500  1
  Ga  Ga64  1  0.47504300  0.66910400  0.50000000  1
  Ga  Ga65  1  0.66293300  0.81644000  0.83991500  1
  Ga  Ga66  1  0.83942100  0.65968200  0.81808500  1
  Ga  Ga67  1  0.52334000  0.50000000  0.68308500  1
  Ga  Ga68  1  0.83942100  0.34031800  0.81808500  1
  Ga  Ga69  1  0.83942100  0.84031800  0.68191500  1
  Ga  Ga70  1  0.02334000  0.50000000  0.81691500  1
  Ga  Ga71  1  0.83942100  0.15968200  0.68191500  1
  Ga  Ga72  1  0.66293300  0.18356000  0.83991500  1
  Ga  Ga73  1  0.47504300  0.33089600  0.50000000  1
  Ga  Ga74  1  0.66293300  0.68356000  0.66008500  1
  Ga  Ga75  1  0.85400300  0.36101500  0.50000000  1
  Ga  Ga76  1  0.64974400  0.50000000  0.87354600  1
  Ga  Ga77  1  0.14974400  0.50000000  0.62645400  1
  Ga  Ga78  1  0.85400300  0.63898500  0.50000000  1
  Ga  Ga79  1  0.16309300  0.66031200  0.50000000  1
  Ga  Ga80  1  0.84032000  0.50000000  0.65816400  1
  Ga  Ga81  1  0.34032000  0.50000000  0.84183600  1
  Ga  Ga82  1  0.16309300  0.33968800  0.50000000  1
  Ga  Ga83  1  0.63715700  0.50000000  0.50000000  1
  Ni  Ni84  1  0.99980700  0.83915100  0.16504000  1
  Ni  Ni85  1  0.49980700  0.83915100  0.33496000  1
  Ni  Ni86  1  0.34311300  0.00000000  0.00000000  1
  Ni  Ni87  1  0.49980700  0.16084900  0.33496000  1
  Ni  Ni88  1  0.99980700  0.16084900  0.16504000  1
  Ni  Ni89  1  0.49980700  0.83915100  0.66504000  1
  Ni  Ni90  1  0.99980700  0.83915100  0.83496000  1
  Ni  Ni91  1  0.84311300  0.00000000  0.50000000  1
  Ni  Ni92  1  0.99980700  0.16084900  0.83496000  1
  Ni  Ni93  1  0.49980700  0.16084900  0.66504000  1
  Ni  Ni94  1  0.49980700  0.33915100  0.16504000  1
  Ni  Ni95  1  0.99980700  0.33915100  0.33496000  1
  Ni  Ni96  1  0.84311300  0.50000000  0.00000000  1
  Ni  Ni97  1  0.99980700  0.66084900  0.33496000  1
  Ni  Ni98  1  0.49980700  0.66084900  0.16504000  1
  Ni  Ni99  1  0.99980700  0.33915100  0.66504000  1
  Ni  Ni100  1  0.49980700  0.33915100  0.83496000  1
  Ni  Ni101  1  0.34311300  0.50000000  0.50000000  1
  Ni  Ni102  1  0.49980700  0.66084900  0.83496000  1
  Ni  Ni103  1  0.99980700  0.66084900  0.66504000  1
