data_[Y8Th4Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8667]
_cell_length_b [27.5614]
_cell_length_c [4.6777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Y2ThPt2]
_chemical_formula_sum '[Y8 Th4 Pt8]'
_cell_volume [498.5133]
_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
[
  Y  Y0  4  0.0000  0.0500  0.7500  1
  Y  Y1  4  0.0000  0.2645  0.2500  1
  Th  Th2  4  0.0000  0.3630  0.7500  1
  Pt  Pt3  4  0.0000  0.1573  0.7500  1
  Pt  Pt4  4  0.0000  0.4657  0.7500  1
]