data_[Th4In2Cu6]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.6570]
_cell_length_b [4.4434]
_cell_length_c [16.1371]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Th2InCu3]
_chemical_formula_sum '[Th4 In2 Cu6]'
_cell_volume [262.2209]
_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  0.0000  0.0000  0.1388  1
  Th  Th1  2  0.0000  0.5000  0.8557  1
  In  In2  2  0.0000  0.5000  0.4627  1
  Cu  Cu3  2  0.0000  0.0000  0.5475  1
  Cu  Cu4  2  0.0000  0.0000  0.6995  1
  Cu  Cu5  2  0.0000  0.5000  0.2957  1
]