data_[Th16Co4Cu2]
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 [Cm]
_cell_length_a [7.9555]
_cell_length_b [13.2675]
_cell_length_c [5.9957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3098]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Th8Co2Cu]
_chemical_formula_sum '[Th16 Co4 Cu2]'
_cell_volume [607.3751]
_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  0.2312  0.1269  0.5698  1
  Th  Th1  4  0.2710  0.3700  0.3659  1
  Th  Th2  4  0.4707  0.2800  0.9672  1
  Th  Th3  2  0.1374  0.5000  0.7967  1
  Th  Th4  2  0.3762  0.0000  0.1598  1
  Co  Co5  4  0.0347  0.2885  0.5379  1
  Cu  Cu6  2  0.0051  0.0000  0.1616  1
]