data_[Ho4Er16Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2084]
_cell_length_b [5.3491]
_cell_length_c [8.0856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.6848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2Er8Zr]
_chemical_formula_sum '[Ho4 Er16 Zr2]'
_cell_volume [665.0000]
_cell_formula_units_Z [2]
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
[
  Ho  Ho0  4  0.2015  0.0000  0.6647  1
  Er  Er1  4  0.0138  0.0000  0.7268  1
  Er  Er2  4  0.1181  0.5000  0.4284  1
  Er  Er3  4  0.1549  0.5000  0.8843  1
  Er  Er4  4  0.1563  0.0000  0.1871  1
  Zr  Zr5  2  0.0000  0.5000  0.0000  1
]