# generated using pymatgen
data_Ni18Bi3AsS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.05732902
_cell_length_b   9.05732902
_cell_length_c   9.05732902
_cell_angle_alpha   110.91960861
_cell_angle_beta   110.91960861
_cell_angle_gamma   106.61173314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni18Bi3AsS16
_chemical_formula_sum   'Ni18 Bi3 As1 S16'
_cell_volume   570.91523186
_cell_formula_units_Z   1
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  0.23562500  0.23562500  0.71375000  1.0
  Ni  Ni1  1  0.23562500  0.52187500  0.00000000  1.0
  Ni  Ni2  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.29772600  0.95469000  0.00000000  1.0
  Ni  Ni4  1  0.04531000  0.70227400  0.00000000  1.0
  Ni  Ni5  1  0.04531000  0.04531000  0.34303600  1.0
  Ni  Ni6  1  0.47812500  0.76437500  0.00000000  1.0
  Ni  Ni7  1  0.95469000  0.95469000  0.65696400  1.0
  Ni  Ni8  1  0.47812500  0.47812500  0.71375000  1.0
  Ni  Ni9  1  0.29772600  0.29772600  0.34303600  1.0
  Ni  Ni10  1  0.95469000  0.29772600  0.00000000  1.0
  Ni  Ni11  1  0.52187500  0.52187500  0.28625000  1.0
  Ni  Ni12  1  0.76437500  0.76437500  0.28625000  1.0
  Ni  Ni13  1  0.52187500  0.23562500  0.00000000  1.0
  Ni  Ni14  1  0.70227400  0.70227400  0.65696400  1.0
  Ni  Ni15  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni16  1  0.76437500  0.47812500  0.00000000  1.0
  Ni  Ni17  1  0.70227400  0.04531000  0.00000000  1.0
  Bi  Bi18  1  0.75000000  0.25000000  0.50000000  1.0
  Bi  Bi19  1  0.25000000  0.75000000  0.50000000  1.0
  Bi  Bi20  1  0.00000000  0.00000000  0.00000000  1.0
  As  As21  1  0.50000000  0.50000000  0.00000000  1.0
  S  S22  1  0.75947600  0.53218800  0.77271200  1.0
  S  S23  1  0.46781200  0.24052400  0.22728800  1.0
  S  S24  1  0.16350400  0.34765300  0.51115600  1.0
  S  S25  1  0.83649600  0.65234700  0.48884400  1.0
  S  S26  1  0.34765300  0.83649600  0.18414900  1.0
  S  S27  1  0.83649600  0.34765300  0.18414900  1.0
  S  S28  1  0.65234700  0.83649600  0.48884400  1.0
  S  S29  1  0.16350400  0.65234700  0.81585100  1.0
  S  S30  1  0.24052400  0.01323600  0.77271200  1.0
  S  S31  1  0.34765300  0.16350400  0.51115600  1.0
  S  S32  1  0.01323600  0.24052400  0.77271200  1.0
  S  S33  1  0.24052400  0.46781200  0.22728800  1.0
  S  S34  1  0.65234700  0.16350400  0.81585100  1.0
  S  S35  1  0.98676400  0.75947600  0.22728800  1.0
  S  S36  1  0.75947600  0.98676400  0.22728800  1.0
  S  S37  1  0.53218800  0.75947600  0.77271200  1.0