data_[Hf1Ge6Mo5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ge  2.0100  1.2500  0.7700
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5590]
_cell_length_b [6.2506]
_cell_length_c [7.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfGe6Mo5]
_chemical_formula_sum '[Hf1 Ge6 Mo5]'
_cell_volume [191.6449]
_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
[
  Hf  Hf0  1  0.0000  0.0000  0.0000  1
  Ge  Ge1  4  0.1705  0.2607  0.3498  1
  Ge  Ge2  2  0.5000  0.2644  0.0000  1
  Mo  Mo3  2  0.2930  0.0000  0.6804  1
  Mo  Mo4  2  0.3740  0.5000  0.6760  1
  Mo  Mo5  1  0.0000  0.5000  0.0000  1
]