data_[Pr6Sm2Er12Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  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 [6.2230]
_cell_length_b [10.7735]
_cell_length_c [11.7441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2033]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3Sm(Er3Th)2]
_chemical_formula_sum '[Pr6 Sm2 Er12 Th4]'
_cell_volume [774.9114]
_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  4  0.0000  0.1660  0.5000  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Sm  Sm2  2  0.0000  0.0000  0.0000  1
  Er  Er3  8  0.2491  0.3309  0.7554  1
  Er  Er4  4  0.2437  0.5000  0.2448  1
  Th  Th5  4  0.0000  0.3334  0.0000  1
]