data_[Cs4Be4Cr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  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 [16.5426]
_cell_length_b [3.8224]
_cell_length_c [7.9076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Be2CrSe4]
_chemical_formula_sum '[Cs4 Be4 Cr2 Se8]'
_cell_volume [476.5092]
_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  0.1234  0.0000  0.5208  1.0
  Be  Be1  4  0.1809  0.5000  0.9882  1.0
  Cr  Cr2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0425  0.5000  0.8241  1.0
  Se  Se4  4  0.2168  0.0000  0.1576  1.0
]