# generated using pymatgen
data_CdFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97225941
_cell_length_b   6.97225941
_cell_length_c   6.97225965
_cell_angle_alpha   33.27789742
_cell_angle_beta   33.27789742
_cell_angle_gamma   33.27789678
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeS2
_chemical_formula_sum   'Cd1 Fe1 S2'
_cell_volume   90.85215617
_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
  Cd  Cd0  1  0.00242300  0.00242300  0.00242300  1.0
  Fe  Fe1  1  0.49921200  0.49921200  0.49921200  1.0
  S  S2  1  0.13239200  0.13239200  0.13239200  1.0
  S  S3  1  0.61597400  0.61597400  0.61597400  1.0