# generated using pymatgen
data_SmCrS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75093180
_cell_length_b   7.80132717
_cell_length_c   12.91934762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCrS3
_chemical_formula_sum   'Sm4 Cr4 S12'
_cell_volume   378.04913034
_cell_formula_units_Z   4
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
  Sm  Sm0  1  0.25000000  0.08579904  0.82707978  1.0
  Sm  Sm1  1  0.75000000  0.91420096  0.17292022  1.0
  Sm  Sm2  1  0.25000000  0.58579904  0.67292022  1.0
  Sm  Sm3  1  0.75000000  0.41420096  0.32707978  1.0
  Cr  Cr4  1  0.25000000  0.33738436  0.05075496  1.0
  Cr  Cr5  1  0.75000000  0.66261564  0.94924504  1.0
  Cr  Cr6  1  0.25000000  0.83738436  0.44924504  1.0
  Cr  Cr7  1  0.75000000  0.16261564  0.55075496  1.0
  S  S8  1  0.25000000  0.49019266  0.89221914  1.0
  S  S9  1  0.75000000  0.50980734  0.10778086  1.0
  S  S10  1  0.25000000  0.99019266  0.60778086  1.0
  S  S11  1  0.75000000  0.00980734  0.39221914  1.0
  S  S12  1  0.25000000  0.34148459  0.49161236  1.0
  S  S13  1  0.75000000  0.65851541  0.50838764  1.0
  S  S14  1  0.25000000  0.84148459  0.00838764  1.0
  S  S15  1  0.75000000  0.15851541  0.99161236  1.0
  S  S16  1  0.75000000  0.30609753  0.71295598  1.0
  S  S17  1  0.25000000  0.69390247  0.28704402  1.0
  S  S18  1  0.75000000  0.80609753  0.78704402  1.0
  S  S19  1  0.25000000  0.19390247  0.21295598  1.0