data_[Cs4P4S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [12.9609]
_cell_length_b [4.9934]
_cell_length_c [8.6220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2P2S5]
_chemical_formula_sum '[Cs4 P4 S10]'
_cell_volume [540.6212]
_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  0.0872  0.5000  0.3229  1
  P  P1  4  0.1562  0.0000  0.9095  1
  S  S2  4  0.1267  0.0000  0.6681  1
  S  S3  4  0.1772  0.5000  0.9748  1
  S  S4  2  0.0000  0.0000  0.0000  1
]