# generated using pymatgen
data_Cr2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30415910
_cell_length_b   6.30415910
_cell_length_c   5.68588506
_cell_angle_alpha   66.24969050
_cell_angle_beta   66.24969050
_cell_angle_gamma   28.77816327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiS4
_chemical_formula_sum   'Cr2 Ni1 S4'
_cell_volume   98.93707618
_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
  Cr  Cr0  1  0.75881500  0.75881500  0.18444000  1.0
  Cr  Cr1  1  0.24118500  0.24118500  0.81556000  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.50000000  1.0
  S  S3  1  0.60835900  0.60835900  0.05692100  1.0
  S  S4  1  0.39164100  0.39164100  0.94307900  1.0
  S  S5  1  0.14227900  0.14227900  0.51781600  1.0
  S  S6  1  0.85772100  0.85772100  0.48218400  1.0