data_[Ho4Hg5Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7445]
_cell_length_b [3.8005]
_cell_length_c [9.1671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho4Hg5Ge2]
_chemical_formula_sum '[Ho4 Hg5 Ge2]'
_cell_volume [268.4011]
_cell_formula_units_Z [1]
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  0.1908  0.5000  0.8570  1.0
  Ho  Ho1  2  0.2355  0.5000  0.4252  1.0
  Hg  Hg2  2  0.1532  0.0000  0.1328  1.0
  Hg  Hg3  2  0.4635  0.0000  0.6710  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0719  0.0000  0.6266  1.0
]