data_[Th4In4Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1353]
_cell_length_b [11.8434]
_cell_length_c [9.0500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th2In2Pd7]
_chemical_formula_sum '[Th4 In4 Pd14]'
_cell_volume [443.2320]
_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  0.0000  0.3311  0.6036  1
  In  In1  2  0.0000  0.0000  0.6694  1
  In  In2  2  0.0000  0.5000  0.8986  1
  Pd  Pd3  4  0.0000  0.1536  0.3586  1
  Pd  Pd4  4  0.0000  0.1776  0.8702  1
  Pd  Pd5  4  0.0000  0.3360  0.1222  1
  Pd  Pd6  2  0.0000  0.5000  0.3764  1
]