data_[Ba2Zn2Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6548]
_cell_length_b [6.4526]
_cell_length_c [6.4838]
_cell_angle_alpha [101.6226]
_cell_angle_beta [103.0227]
_cell_angle_gamma [104.2674]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaZnGa]
_chemical_formula_sum '[Ba2 Zn2 Ga2]'
_cell_volume [176.9428]
_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  0.2517  0.6774  0.8107  1.0
  Zn  Zn1  2  0.0337  0.8977  0.2950  1.0
  Ga  Ga2  2  0.4801  0.2116  0.6204  1.0
]