data_[Ho12Er4Cu8]
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 [Ibam]
_cell_length_a [6.7426]
_cell_length_b [13.3490]
_cell_length_c [7.1142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Ho3ErCu2]
_chemical_formula_sum '[Ho12 Er4 Cu8]'
_cell_volume [640.3299]
_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  8  0.0000  0.2337  0.2500  1
  Ho  Ho1  4  0.0000  0.5000  0.2500  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Cu  Cu3  8  0.2084  0.6411  0.0000  1
]