data_[Ba2In2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7021]
_cell_length_b [6.5407]
_cell_length_c [7.3220]
_cell_angle_alpha [101.2227]
_cell_angle_beta [90.1580]
_cell_angle_gamma [111.0462]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaInGa]
_chemical_formula_sum '[Ba2 In2 Ga2]'
_cell_volume [205.4953]
_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  0.1181  0.7278  0.7979  1.0
  In  In1  2  0.1871  0.8815  0.3231  1.0
  Ga  Ga2  2  0.4096  0.3156  0.5665  1.0
]