data_[Te20P4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8248]
_cell_length_b [14.1427]
_cell_length_c [15.1353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Te5PPt]
_chemical_formula_sum '[Te20 P4 Pt4]'
_cell_volume [818.7225]
_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  0.0000  0.1417  0.1313  1
  Te  Te1  8  0.0000  0.3813  0.0720  1
  Te  Te2  4  0.0000  0.0450  0.7500  1
  P  P3  4  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.0000  0.4048  0.7500  1
]