data_[Pr12Er4Tm2]
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
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4625]
_cell_length_b [17.7804]
_cell_length_c [3.6805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Pr6Er2Tm]
_chemical_formula_sum '[Pr12 Er4 Tm2]'
_cell_volume [619.2368]
_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  8  0.1749  0.3341  0.0000  1
  Pr  Pr1  4  0.1852  0.5000  0.5000  1
  Er  Er2  4  0.0000  0.1740  0.5000  1
  Tm  Tm3  2  0.0000  0.0000  0.0000  1
]