data_[Ba2Hf2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1949]
_cell_length_b [3.7466]
_cell_length_c [12.1816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaHfGa]
_chemical_formula_sum '[Ba2 Hf2 Ga2]'
_cell_volume [188.6781]
_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
[
  Ba  Ba0  2  0.3325  0.2500  0.1572  1
  Hf  Hf1  2  0.0480  0.7500  0.5973  1
  Ga  Ga2  2  0.4569  0.7500  0.4123  1
]