data_[Th2Sc10Co12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5123]
_cell_length_b [13.5163]
_cell_length_c [6.3772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [ThSc5Co6]
_chemical_formula_sum '[Th2 Sc10 Co12]'
_cell_volume [388.9400]
_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  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.3267  0.0000  1
  Sc  Sc2  4  0.0000  0.3319  0.5000  1
  Sc  Sc3  2  0.0000  0.0000  0.5000  1
  Co  Co4  8  0.0000  0.1673  0.2527  1
  Co  Co5  4  0.0000  0.5000  0.2561  1
]