data_[Pa4As2P1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9025]
_cell_length_b [4.0349]
_cell_length_c [6.9799]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7289]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa4As2PS]
_chemical_formula_sum '[Pa4 As2 P1 S1]'
_cell_volume [182.9855]
_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
[
  Pa  Pa0  2  0.2656  0.0000  0.7549  1
  Pa  Pa1  2  0.2666  0.5000  0.2561  1
  As  As2  1  0.0000  0.0000  0.0000  1
  As  As3  1  0.0000  0.5000  0.5000  1
  P  P4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.5000  0.0000  0.5000  1
]