data_[Ca3Ho3Er6Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0661]
_cell_length_b [5.0661]
_cell_length_c [25.0699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [CaHo(ErAu2)2]
_chemical_formula_sum '[Ca3 Ho3 Er6 Au12]'
_cell_volume [557.2320]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  3  -0.0000  -0.0000  0.5000  1.0
  Er  Er2  6  0.0000  0.0000  0.2515  1.0
  Au  Au3  6  0.0000  0.0000  0.1300  1.0
  Au  Au4  6  0.0000  0.0000  0.3790  1.0
]