data_[Ho12Ge12Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.4038]
_cell_length_b [20.9231]
_cell_length_c [7.6345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [HoGePd]
_chemical_formula_sum '[Ho12 Ge12 Pd12]'
_cell_volume [703.4440]
_cell_formula_units_Z [12]
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  0.1668  0.5355  1.0
  Ho  Ho1  4  0.0000  0.3330  0.4571  1.0
  Ho  Ho2  2  0.0000  0.0000  0.4513  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5350  1.0
  Ge  Ge4  4  0.0000  0.0937  0.1552  1.0
  Ge  Ge5  4  0.0000  0.2641  0.8383  1.0
  Ge  Ge6  4  0.0000  0.4351  0.1532  1.0
  Pd  Pd7  4  0.0000  0.0723  0.8224  1.0
  Pd  Pd8  4  0.0000  0.2324  0.1676  1.0
  Pd  Pd9  4  0.0000  0.3955  0.8266  1.0
]