data_[Ba4Mg6Ga4]
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 [C2/m]
_cell_length_a [11.8932]
_cell_length_b [4.7888]
_cell_length_c [7.6684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Mg3Ga2]
_chemical_formula_sum '[Ba4 Mg6 Ga4]'
_cell_volume [426.7747]
_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  4  0.1132  0.5000  0.3658  1.0
  Mg  Mg1  4  0.1960  0.5000  0.8958  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.1161  0.0000  0.7294  1.0
]