data_[Y4Ho4Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1936]
_cell_length_b [4.9489]
_cell_length_c [9.9526]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5082]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YHoEr2]
_chemical_formula_sum '[Y4 Ho4 Er8]'
_cell_volume [493.3785]
_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
[
  Y  Y0  2  0.2919  0.5000  0.7955  1.0
  Y  Y1  2  0.2930  0.0000  0.5452  1.0
  Ho  Ho2  2  0.0424  0.0000  0.1704  1.0
  Ho  Ho3  2  0.2918  0.0000  0.0457  1.0
  Er  Er4  2  0.0423  0.5000  0.9212  1.0
  Er  Er5  2  0.0423  0.0000  0.6704  1.0
  Er  Er6  2  0.0425  0.5000  0.4199  1.0
  Er  Er7  2  0.2930  0.5000  0.2956  1.0
]