data_[La4Th4Co6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Th  1.3000  1.8000  1.0800
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6320]
_cell_length_b [3.9488]
_cell_length_c [6.3933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Th2Co3]
_chemical_formula_sum '[La4 Th4 Co6]'
_cell_volume [343.0823]
_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
[
  La  La0  4  0.1376  0.5000  0.8528  1
  Th  Th1  4  0.1110  0.0000  0.3475  1
  Co  Co2  4  0.2373  0.5000  0.3528  1
  Co  Co3  2  0.0000  0.0000  0.0000  1
]