data_[Th4Cu2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2437]
_cell_length_b [4.1423]
_cell_length_c [8.7810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4978]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th2CuSb]
_chemical_formula_sum '[Th4 Cu2 Sb2]'
_cell_volume [212.7298]
_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  0.2405  0.7500  0.4439  1
  Th  Th1  2  0.3051  0.2500  0.0908  1
  Cu  Cu2  2  0.3607  0.2500  0.7141  1
  Sb  Sb3  2  0.1317  0.7500  0.7896  1
]