data_[Tl4Cu4Pt4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8605]
_cell_length_b [12.5628]
_cell_length_c [10.8667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlCuPtSe3]
_chemical_formula_sum '[Tl4 Cu4 Pt4 Se12]'
_cell_volume [527.0269]
_cell_formula_units_Z [4]
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  0.0000  0.2204  0.7500  1
  Cu  Cu1  4  0.0000  0.1036  0.2500  1
  Pt  Pt2  4  0.0000  0.5000  0.0000  1
  Se  Se3  8  0.0000  0.1292  0.0270  1
  Se  Se4  4  0.0000  0.4786  0.2500  1
]