data_[Te16Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.5676]
_cell_length_b [7.9758]
_cell_length_c [6.3992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Te4Pt]
_chemical_formula_sum '[Te16 Pt4]'
_cell_volume [579.4655]
_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
[
  Te  Te0  8  0.1099  0.1241  0.9224  1
  Te  Te1  8  0.1316  0.4562  0.3459  1
  Pt  Pt2  4  0.0000  0.1638  0.2500  1
]