# generated using pymatgen
data_Cr5NiS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.40990501
_cell_length_b   6.60498265
_cell_length_c   6.74819344
_cell_angle_alpha   105.60975420
_cell_angle_beta   105.39917146
_cell_angle_gamma   116.12688492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5NiS8
_chemical_formula_sum   'Cr5 Ni1 S8'
_cell_volume   221.34563851
_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  0.23578700  0.72010300  0.47738800  1
  Cr  Cr1  1  0.23290700  0.70836300  0.97670500  1
  Cr  Cr2  1  0.76709300  0.29163700  0.02329500  1
  Cr  Cr3  1  0.76421300  0.27989700  0.52261200  1
  Cr  Cr4  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1
  S  S6  1  0.20808200  0.44471000  0.15568900  1
  S  S7  1  0.21485300  0.44863700  0.65473300  1
  S  S8  1  0.78514700  0.55136300  0.34526700  1
  S  S9  1  0.79191800  0.55529000  0.84431100  1
  S  S10  1  0.70644700  0.97770000  0.67264700  1
  S  S11  1  0.70705700  0.97582000  0.17148900  1
  S  S12  1  0.29294300  0.02418000  0.82851100  1
  S  S13  1  0.29355300  0.02230000  0.32735300  1
