data_[Pa4C4S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9354]
_cell_length_b [3.8070]
_cell_length_c [10.0428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0901]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PaCS]
_chemical_formula_sum '[Pa4 C4 S4]'
_cell_volume [261.8277]
_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  4  0.0893  0.5000  0.8507  1
  C  C1  4  0.0893  0.0000  0.0425  1
  S  S2  4  0.2161  0.0000  0.6968  1
]