data_[Pa8Te8Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [7.3554]
_cell_length_b [7.3554]
_cell_length_c [11.3595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Pa4Te4Pt]
_chemical_formula_sum '[Pa8 Te8 Pt2]'
_cell_volume [614.5625]
_cell_formula_units_Z [2]
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
[
  Pa  Pa0  8  0.2068  0.2068  0.3493  1
  Te  Te1  4  0.0000  0.0000  0.1562  1
  Te  Te2  4  0.0000  0.5000  0.0000  1
  Pt  Pt3  2  0.0000  0.0000  0.5000  1
]