data_[Pr2Er12Tm6Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1455]
_cell_length_b [10.6310]
_cell_length_c [11.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrEr6Tm3Th2]
_chemical_formula_sum '[Pr2 Er12 Tm6 Th4]'
_cell_volume [749.1457]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1
  Er  Er1  8  0.2465  0.3310  0.7494  1
  Er  Er2  4  0.2463  0.5000  0.2506  1
  Tm  Tm3  4  0.0000  0.1664  0.5000  1
  Tm  Tm4  2  0.0000  0.5000  0.5000  1
  Th  Th5  4  0.0000  0.3332  0.0000  1
]