data_[Cd1Te1Pt5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0508]
_cell_length_b [4.0508]
_cell_length_c [7.6991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [CdTePt5]
_chemical_formula_sum '[Cd1 Te1 Pt5]'
_cell_volume [126.3319]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.5000  0.5000  0.0000  1.0
  Te  Te1  1  0.0000  0.0000  0.5000  1.0
  Pt  Pt2  4  0.0000  0.5000  0.2650  1.0
  Pt  Pt3  1  0.0000  0.0000  0.0000  1.0
]