data_[Ta4Te16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1793]
_cell_length_b [5.4339]
_cell_length_c [8.8214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaTe4Pt]
_chemical_formula_sum '[Ta4 Te16 Pt4]'
_cell_volume [799.4389]
_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
[
  Ta  Ta0  4  0.2040  0.0000  0.2831  1
  Te  Te1  4  0.0667  0.0000  0.3807  1
  Te  Te2  4  0.1153  0.0000  0.0044  1
  Te  Te3  4  0.1355  0.5000  0.7286  1
  Te  Te4  4  0.2490  0.5000  0.3565  1
  Pt  Pt5  4  0.0994  0.0000  0.6891  1
]