data_[Th6In2Co2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1192]
_cell_length_b [4.7721]
_cell_length_c [8.5825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3InCo]
_chemical_formula_sum '[Th6 In2 Co2]'
_cell_volume [280.5074]
_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  0.0365  0.2500  0.3322  1
  Th  Th1  2  0.2852  0.2500  0.9320  1
  Th  Th2  2  0.4303  0.7500  0.6089  1
  In  In3  2  0.2712  0.7500  0.1819  1
  Co  Co4  2  0.2171  0.2500  0.6262  1
]