data_[Ho12Er4Cu12]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7652]
_cell_length_b [9.9963]
_cell_length_c [6.8449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2022]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3ErCu3]
_chemical_formula_sum '[Ho12 Er4 Cu12]'
_cell_volume [644.7903]
_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  0.0000  0.1791  0.5000  1.0
  Ho  Ho1  4  0.0000  0.2584  0.0000  1.0
  Ho  Ho2  4  0.1585  0.5000  0.4231  1.0
  Er  Er3  4  0.2388  0.5000  0.9667  1.0
  Cu  Cu4  8  0.2381  0.2166  0.3062  1.0
  Cu  Cu5  4  0.0476  0.0000  0.2033  1.0
]