data_[Tl4Cr2Cu4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4423]
_cell_length_b [3.8358]
_cell_length_c [7.7438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Cr(CuSe2)2]
_chemical_formula_sum '[Tl4 Cr2 Cu4 Se8]'
_cell_volume [405.0638]
_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
[
  Tl  Tl0  4  0.1331  0.0000  0.5675  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1871  0.5000  0.9845  1.0
  Se  Se3  4  0.0161  0.5000  0.7880  1.0
  Se  Se4  4  0.1881  0.0000  0.1789  1.0
]