data_[Pr6Er2Tm12]
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 [P2_1/m]
_cell_length_a [13.1590]
_cell_length_b [3.4725]
_cell_length_c [14.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.4633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3ErTm6]
_chemical_formula_sum '[Pr6 Er2 Tm12]'
_cell_volume [641.1236]
_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  0.0700  0.7500  0.1002  1.0
  Pr  Pr1  2  0.3711  0.2500  0.4944  1.0
  Pr  Pr2  2  0.4195  0.7500  0.9010  1.0
  Er  Er3  2  0.0420  0.7500  0.7191  1.0
  Tm  Tm4  2  0.1172  0.7500  0.4829  1.0
  Tm  Tm5  2  0.1933  0.2500  0.9252  1.0
  Tm  Tm6  2  0.2208  0.2500  0.2882  1.0
  Tm  Tm7  2  0.2673  0.2500  0.6975  1.0
  Tm  Tm8  2  0.3460  0.7500  0.1247  1.0
  Tm  Tm9  2  0.4993  0.7500  0.6905  1.0
]