data_[La2Ho5Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1249]
_cell_length_b [9.3723]
_cell_length_c [10.6119]
_cell_angle_alpha [100.9930]
_cell_angle_beta [95.5617]
_cell_angle_gamma [90.0932]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La2Ho5Er12]
_chemical_formula_sum '[La2 Ho5 Er12]'
_cell_volume [595.0444]
_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  0.4210  0.1859  0.0266  1
  Ho  Ho1  2  0.1585  0.1315  0.4485  1
  Ho  Ho2  2  0.2611  0.5525  0.0802  1
  Ho  Ho3  1  0.0000  0.5000  0.5000  1
  Er  Er4  2  0.0524  0.7089  0.8127  1
  Er  Er5  2  0.1046  0.9202  0.1343  1
  Er  Er6  2  0.2100  0.3430  0.7604  1
  Er  Er7  2  0.3155  0.7633  0.3960  1
  Er  Er8  2  0.3674  0.9739  0.7073  1
  Er  Er9  2  0.4737  0.3960  0.3450  1
]