data_[Th2Sn4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4782]
_cell_length_b [4.5318]
_cell_length_c [10.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThSn2Pt]
_chemical_formula_sum '[Th2 Sn4 Pt2]'
_cell_volume [201.4273]
_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  0.1479  0.2500  0.7246  1
  Sn  Sn1  2  0.2228  0.7500  0.0135  1
  Sn  Sn2  2  0.3324  0.2500  0.4305  1
  Pt  Pt3  2  0.4377  0.2500  0.1801  1
]