data_[Y12Ho4Er4]
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 [C2/m]
_cell_length_a [16.2849]
_cell_length_b [3.4967]
_cell_length_c [12.0269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7778]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3HoEr]
_chemical_formula_sum '[Y12 Ho4 Er4]'
_cell_volume [621.8050]
_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  4  0.0748  0.0000  0.9518  1.0
  Y  Y1  4  0.1769  0.5000  0.5528  1.0
  Y  Y2  4  0.2138  0.5000  0.8541  1.0
  Ho  Ho3  4  0.0179  0.0000  0.6505  1.0
  Er  Er4  4  0.1276  0.5000  0.2336  1.0
]