data_[Th6Be4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Be  1.5700  1.0500  0.5900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9253]
_cell_length_b [4.1617]
_cell_length_c [8.5951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3(BePt2)2]
_chemical_formula_sum '[Th6 Be4 Pt8]'
_cell_volume [368.5782]
_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  4  0.1648  0.5000  0.6662  1
  Th  Th1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.1129  0.5000  0.2862  1
  Pt  Pt3  4  0.0666  0.0000  0.3800  1
  Pt  Pt4  4  0.2068  0.5000  0.0841  1
]