data_[Th6V9Co36Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  V  1.6300  1.3500  0.7775
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.0051]
_cell_length_b [6.0051]
_cell_length_c [24.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th2V3Co12Ni]
_chemical_formula_sum '[Th6 V9 Co36 Ni3]'
_cell_volume [777.6994]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3367  1
  V  V1  9  0.0000  0.5000  0.5000  1
  Co  Co2  18  0.0617  0.5309  0.5933  1
  Co  Co3  18  0.0708  0.5354  0.1142  1
  Ni  Ni4  3  0.0000  0.0000  0.0000  1
]