data_[Cs10In2P8Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [14.1889]
_cell_length_b [14.1889]
_cell_length_c [7.7582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [Cs5In(PSe3)4]
_chemical_formula_sum '[Cs10 In2 P8 Se24]'
_cell_volume [1561.9021]
_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  0.0306  0.6792  0.5000  1
  Cs  Cs1  4  0.3229  0.6612  0.0000  1
  Cs  Cs2  2  0.0000  0.0000  0.0000  1
  In  In3  2  0.0000  0.5000  0.0000  1
  P  P4  4  0.1148  0.2564  0.0000  1
  P  P5  4  0.2043  0.3932  0.0000  1
  Se  Se6  8  0.1500  0.1802  0.2366  1
  Se  Se7  8  0.1538  0.4733  0.2310  1
  Se  Se8  4  0.0343  0.6893  0.0000  1
  Se  Se9  4  0.3513  0.3578  0.0000  1
]