# generated using pymatgen
data_NdCrS2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11105699
_cell_length_b   6.11105699
_cell_length_c   7.98173410
_cell_angle_alpha   89.91759493
_cell_angle_beta   89.91759493
_cell_angle_gamma   35.54634829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCrS2O
_chemical_formula_sum   'Nd2 Cr2 S4 O2'
_cell_volume   173.29082462
_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
  Nd  Nd0  1  0.26585200  0.26585200  0.29389800  1.0
  Nd  Nd1  1  0.73414800  0.73414800  0.70610200  1.0
  Cr  Cr2  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr3  1  0.50000000  0.50000000  0.00000000  1.0
  S  S4  1  0.13724700  0.13724700  0.97105500  1.0
  S  S5  1  0.45523000  0.45523000  0.69821600  1.0
  S  S6  1  0.54477000  0.54477000  0.30178400  1.0
  S  S7  1  0.86275300  0.86275300  0.02894500  1.0
  O  O8  1  0.83346900  0.83346900  0.43898800  1.0
  O  O9  1  0.16653100  0.16653100  0.56101200  1.0