data_[Th4Co5Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5981]
_cell_length_b [3.8593]
_cell_length_c [7.7696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4Co5Ni2]
_chemical_formula_sum '[Th4 Co5 Ni2]'
_cell_volume [197.5663]
_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  0.2435  0.5000  0.8798  1
  Th  Th1  2  0.2586  0.5000  0.3793  1
  Co  Co2  2  0.1596  0.0000  0.1246  1
  Co  Co3  2  0.4740  0.0000  0.6761  1
  Co  Co4  1  0.5000  0.0000  0.0000  1
  Ni  Ni5  2  0.0901  0.0000  0.6389  1
]