data_[Cs2Pr1Th1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3115]
_cell_length_b [4.2317]
_cell_length_c [8.4829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Cs2PrThS4]
_chemical_formula_sum '[Cs2 Pr1 Th1 S4]'
_cell_volume [251.4399]
_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
[
  Cs  Cs0  1  0.0000  0.5000  0.5000  1
  Cs  Cs1  1  0.5000  0.0000  0.5000  1
  Pr  Pr2  1  0.5000  0.5000  0.0000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2212  0.5000  0.1876  1
  S  S5  2  0.2611  0.0000  0.8106  1
]