data_[Cs4Sr2P4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7839]
_cell_length_b [7.2997]
_cell_length_c [8.2971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Sr(PS3)2]
_chemical_formula_sum '[Cs4 Sr2 P4 S12]'
_cell_volume [657.3589]
_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
[
  Cs  Cs0  4  0.2265  0.5000  0.2211  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  P  P2  4  0.0402  0.0000  0.1627  1.0
  S  S3  8  0.0292  0.2327  0.7947  1.0
  S  S4  4  0.2261  0.0000  0.2916  1.0
]