data_[Th6Te2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8687]
_cell_length_b [5.4331]
_cell_length_c [9.0155]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3TePt]
_chemical_formula_sum '[Th6 Te2 Pt2]'
_cell_volume [328.8136]
_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
[
  Th  Th0  2  0.1307  0.7500  0.1054  1
  Th  Th1  2  0.3313  0.2500  0.8869  1
  Th  Th2  2  0.4392  0.2500  0.2934  1
  Te  Te3  2  0.0602  0.7500  0.7341  1
  Pt  Pt4  2  0.4762  0.7500  0.3768  1
]