data_[Ho3Er12Ni6]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [3.8747]
_cell_length_b [3.8747]
_cell_length_c [42.9850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho(Er2Ni)2]
_chemical_formula_sum '[Ho3 Er12 Ni6]'
_cell_volume [558.9012]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.5000  1
  Er  Er1  6  0.0000  0.0000  0.1016  1
  Er  Er2  6  0.0000  0.0000  0.2999  1
  Ni  Ni3  6  0.0000  0.0000  0.4006  1
]