data_[La2Er5Tm12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0437]
_cell_length_b [8.7577]
_cell_length_c [11.5423]
_cell_angle_alpha [91.6407]
_cell_angle_beta [103.5688]
_cell_angle_gamma [95.3764]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2Er5Tm12]
_chemical_formula_sum '[La2 Er5 Tm12]'
_cell_volume [590.4509]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.2867  0.0270  0.0809  1
  Er  Er1  2  0.0493  0.8090  0.4504  1
  Er  Er2  2  0.3342  0.6540  0.9749  1
  Er  Er3  1  0.5000  0.5000  0.5000  1
  Tm  Tm4  2  0.0850  0.2917  0.8654  1
  Tm  Tm5  2  0.1528  0.9258  0.7611  1
  Tm  Tm6  2  0.1572  0.5537  0.6678  1
  Tm  Tm7  2  0.2480  0.4004  0.1844  1
  Tm  Tm8  2  0.4011  0.1262  0.3917  1
  Tm  Tm9  2  0.4899  0.7613  0.2909  1
]