# generated using pymatgen
data_Cr2NiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.21280198
_cell_length_b   3.13323492
_cell_length_c   5.68588529
_cell_angle_alpha   90.00000000
_cell_angle_beta   114.56938687
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiS4
_chemical_formula_sum   'Cr4 Ni2 S8'
_cell_volume   197.87421500
_cell_formula_units_Z   2
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  0.25881500  0.50000000  0.81556000  1
  Cr  Cr1  1  0.24118500  0.00000000  0.18444000  1
  Cr  Cr2  1  0.75881500  0.00000000  0.81556000  1
  Cr  Cr3  1  0.74118500  0.50000000  0.18444000  1
  Ni  Ni4  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni5  1  0.50000000  0.00000000  0.50000000  1
  S  S6  1  0.10835900  0.50000000  0.94307900  1
  S  S7  1  0.39164100  0.00000000  0.05692100  1
  S  S8  1  0.14227900  0.00000000  0.48218400  1
  S  S9  1  0.35772100  0.50000000  0.51781600  1
  S  S10  1  0.60835900  0.00000000  0.94307900  1
  S  S11  1  0.89164100  0.50000000  0.05692100  1
  S  S12  1  0.64227900  0.50000000  0.48218400  1
  S  S13  1  0.85772100  0.00000000  0.51781600  1
