data_[La12Ho24Er4]
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 [Cmc2_1]
_cell_length_a [11.0411]
_cell_length_b [19.0390]
_cell_length_c [6.3397]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La3Ho6Er]
_chemical_formula_sum '[La12 Ho24 Er4]'
_cell_volume [1332.6786]
_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  8  0.1731  0.1132  0.5333  1
  La  La1  4  0.0000  0.3881  0.9323  1
  Ho  Ho2  8  0.1677  0.4532  0.4525  1
  Ho  Ho3  8  0.2426  0.2891  0.6296  1
  Ho  Ho4  4  0.0000  0.0390  0.1184  1
  Ho  Ho5  4  0.0000  0.2746  0.3587  1
  Er  Er6  4  0.0000  0.1961  0.8743  1
]