# generated using pymatgen
data_PaCrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.30946303
_cell_length_b   7.30949562
_cell_length_c   7.04881821
_cell_angle_alpha   61.17694462
_cell_angle_beta   61.17505328
_cell_angle_gamma   68.13708464
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PaCrS4
_chemical_formula_sum   'Pa2 Cr2 S8'
_cell_volume   284.22347879
_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
  Pa  Pa0  1  0.00001820  0.50008836  0.49989919  1.0
  Pa  Pa1  1  0.49993733  0.99999079  0.49997245  1.0
  Cr  Cr2  1  0.49997927  0.49992180  0.50009253  1.0
  Cr  Cr3  1  0.50007175  0.50000735  0.99997792  1.0
  S  S4  1  0.74843608  0.74845975  0.74472156  1.0
  S  S5  1  0.25149102  0.25159070  0.74156477  1.0
  S  S6  1  0.30931190  0.71530526  0.23775333  1.0
  S  S7  1  0.71530783  0.30922150  0.23778148  1.0
  S  S8  1  0.69081518  0.28469676  0.76225529  1.0
  S  S9  1  0.28466857  0.69068907  0.76235044  1.0
  S  S10  1  0.25157716  0.25165097  0.25516028  1.0
  S  S11  1  0.74838172  0.74837968  0.25845876  1.0