data_[Ba2Mg6Ga2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9010]
_cell_length_b [4.6471]
_cell_length_c [8.0731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaMg3Ga]
_chemical_formula_sum '[Ba2 Mg6 Ga2]'
_cell_volume [281.3397]
_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  0.1940  0.2500  0.6710  1
  Mg  Mg1  2  0.0961  0.2500  0.1390  1
  Mg  Mg2  2  0.3429  0.7500  0.0216  1
  Mg  Mg3  2  0.3528  0.7500  0.3942  1
  Ga  Ga4  2  0.4710  0.2500  0.2363  1
]