data_[Ho8Er4Zr4]
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 [12.6027]
_cell_length_b [3.4652]
_cell_length_c [12.1515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho2ErZr]
_chemical_formula_sum '[Ho8 Er4 Zr4]'
_cell_volume [464.3695]
_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
[
  Ho  Ho0  4  0.1165  0.0000  0.2114  1.0
  Ho  Ho1  4  0.1272  0.0000  0.7412  1.0
  Er  Er2  4  0.1263  0.5000  0.4816  1.0
  Zr  Zr3  4  0.1339  0.5000  0.9812  1.0
]