data_[Ho4Ge2Ru2]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.0159]
_cell_length_b [3.6421]
_cell_length_c [8.4215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1738]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ho2GeRu]
_chemical_formula_sum '[Ho4 Ge2 Ru2]'
_cell_volume [176.2915]
_cell_formula_units_Z [2]
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  2  0.2006  0.2500  0.4172  1.0
  Ho  Ho1  2  0.2713  0.7500  0.0561  1.0
  Ge  Ge2  2  0.3699  0.7500  0.7163  1.0
  Ru  Ru3  2  0.1143  0.2500  0.7845  1.0
]