data_[Tl10Cr2Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0600]
_cell_length_b [5.9622]
_cell_length_c [8.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5CrSe5]
_chemical_formula_sum '[Tl10 Cr2 Se10]'
_cell_volume [641.8323]
_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  0.1433  0.5000  0.7856  1
  Tl  Tl1  4  0.1965  0.5000  0.3031  1
  Tl  Tl2  2  0.0000  0.0000  0.5000  1
  Cr  Cr3  2  0.0000  0.0000  0.0000  1
  Se  Se4  4  0.1299  0.0000  0.2973  1
  Se  Se5  4  0.1453  0.0000  0.8951  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]