data_[Th4Co2Cu5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8030]
_cell_length_b [3.7887]
_cell_length_c [8.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Co2Cu5]
_chemical_formula_sum '[Th4 Co2 Cu5]'
_cell_volume [218.8124]
_cell_formula_units_Z [1]
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  0.1970  0.5000  0.8568  1
  Th  Th1  2  0.2428  0.5000  0.4211  1
  Co  Co2  2  0.0602  0.0000  0.6502  1
  Cu  Cu3  2  0.1898  0.0000  0.1406  1
  Cu  Cu4  2  0.4490  0.0000  0.6820  1
  Cu  Cu5  1  0.5000  0.0000  0.0000  1
]