data_[Tb2Ho6Er12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1255]
_cell_length_b [10.5999]
_cell_length_c [11.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbHo3(Er3Th)2]
_chemical_formula_sum '[Tb2 Ho6 Er12 Th4]'
_cell_volume [745.6253]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1
  Ho  Ho1  4  0.0000  0.1663  0.5000  1
  Ho  Ho2  2  0.0000  0.5000  0.5000  1
  Er  Er3  8  0.2484  0.3315  0.7513  1
  Er  Er4  4  0.2459  0.5000  0.2489  1
  Th  Th5  4  0.0000  0.3333  0.0000  1
]