data_[Cs2Cr2Se4]
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 [Pm]
_cell_length_a [6.7569]
_cell_length_b [3.8426]
_cell_length_c [9.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsCrSe2]
_chemical_formula_sum '[Cs2 Cr2 Se4]'
_cell_volume [248.4722]
_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  1  0.1339  0.5000  0.7483  1.0
  Cs  Cs1  1  0.7594  0.5000  0.0815  1.0
  Cr  Cr2  1  0.3602  0.0000  0.3059  1.0
  Cr  Cr3  1  0.5843  0.5000  0.5576  1.0
  Se  Se4  1  0.2238  0.5000  0.3985  1.0
  Se  Se5  1  0.2504  0.0000  0.0670  1.0
  Se  Se6  1  0.6060  0.0000  0.7303  1.0
  Se  Se7  1  0.7181  0.0000  0.4221  1.0
]