data_[Cs2Cr10Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1166]
_cell_length_b [3.7166]
_cell_length_c [9.2408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCr5Se8]
_chemical_formula_sum '[Cs2 Cr10 Se16]'
_cell_volume [634.1302]
_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  2  0.0000  0.5000  0.5000  1.0
  Cr  Cr1  4  0.1597  0.5000  0.9815  1.0
  Cr  Cr2  4  0.2047  0.5000  0.3331  1.0
  Cr  Cr3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.0757  0.5000  0.1512  1.0
  Se  Se5  4  0.0880  0.0000  0.8356  1.0
  Se  Se6  4  0.1727  0.0000  0.4865  1.0
  Se  Se7  4  0.2394  0.0000  0.1575  1.0
]