data_[La4Ho4Er8]
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 [P2/c]
_cell_length_a [6.2421]
_cell_length_b [7.3166]
_cell_length_c [11.4566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0028]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LaHoEr2]
_chemical_formula_sum '[La4 Ho4 Er8]'
_cell_volume [523.2312]
_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  0.3265  0.4994  0.1250  1.0
  Ho  Ho1  4  0.1682  0.2419  0.3753  1.0
  Er  Er2  4  0.1688  0.2419  0.8747  1.0
  Er  Er3  4  0.3328  0.0001  0.6250  1.0
]