data_[Ca4La4Th8Pt16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.3681]
_cell_length_b [11.8423]
_cell_length_c [8.3763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [CaLa(ThPt2)2]
_chemical_formula_sum '[Ca4 La4 Th8 Pt16]'
_cell_volume [830.0735]
_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
[
  Ca  Ca0  4  0.0000  0.0000  0.4479  1
  La  La1  4  0.0000  0.0000  0.9377  1
  Th  Th2  8  0.2500  0.2500  0.1815  1
  Pt  Pt3  8  0.0000  0.2495  0.4316  1
  Pt  Pt4  8  0.2445  0.0000  0.1928  1
]