data_[Hf12Ga10As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4976]
_cell_length_b [11.3453]
_cell_length_c [6.9265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf6Ga5As]
_chemical_formula_sum '[Hf12 Ga10 As2]'
_cell_volume [483.9741]
_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
[
  Hf  Hf0  8  0.2464  0.1649  0.2430  1
  Hf  Hf1  4  0.2493  0.0000  0.7594  1
  Ga  Ga2  4  0.0000  0.1655  0.5000  1
  Ga  Ga3  4  0.0000  0.3332  0.0000  1
  Ga  Ga4  2  0.0000  0.5000  0.5000  1
  As  As5  2  0.0000  0.0000  0.0000  1
]