data_[La4Ho20Er12]
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 [C2/m]
_cell_length_a [16.9409]
_cell_length_b [7.9460]
_cell_length_c [12.1314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.6053]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHo5Er3]
_chemical_formula_sum '[La4 Ho20 Er12]'
_cell_volume [1239.8317]
_cell_formula_units_Z [4]
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  4  0.2374  0.0000  0.1378  1
  Ho  Ho1  8  0.0644  0.2075  0.7801  1
  Ho  Ho2  4  0.0000  0.3219  0.0000  1
  Ho  Ho3  4  0.1226  0.0000  0.5681  1
  Ho  Ho4  4  0.2009  0.5000  0.0717  1
  Er  Er5  4  0.1219  0.5000  0.3192  1
  Er  Er6  4  0.1640  0.0000  0.3384  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.5000  0.5000  1
]