# generated using pymatgen
data_PaCrS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22720815
_cell_length_b   7.28051824
_cell_length_c   8.82967654
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaCrS3
_chemical_formula_sum   'Pa4 Cr4 S12'
_cell_volume   400.31371671
_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
  Pa  Pa0  1  0.94911675  0.37668621  0.25000000  1.0
  Pa  Pa1  1  0.44911675  0.12331379  0.75000000  1.0
  Pa  Pa2  1  0.55088325  0.87668621  0.25000000  1.0
  Pa  Pa3  1  0.05088325  0.62331379  0.75000000  1.0
  Cr  Cr4  1  0.00000000  0.00000000  0.00000000  1.0
  Cr  Cr5  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr6  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr7  1  0.50000000  0.50000000  0.00000000  1.0
  S  S8  1  0.32695127  0.82939368  0.94094679  1.0
  S  S9  1  0.17304873  0.32939368  0.94094679  1.0
  S  S10  1  0.67304873  0.17060632  0.05905321  1.0
  S  S11  1  0.32695127  0.82939368  0.55905321  1.0
  S  S12  1  0.14548184  0.04262230  0.25000000  1.0
  S  S13  1  0.64548184  0.45737770  0.75000000  1.0
  S  S14  1  0.35451816  0.54262230  0.25000000  1.0
  S  S15  1  0.85451816  0.95737770  0.75000000  1.0
  S  S16  1  0.17304873  0.32939368  0.55905321  1.0
  S  S17  1  0.67304873  0.17060632  0.44094679  1.0
  S  S18  1  0.82695127  0.67060632  0.05905321  1.0
  S  S19  1  0.82695127  0.67060632  0.44094679  1.0