data_[Ba4Ca2Ga4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.9123]
_cell_length_b [3.9123]
_cell_length_c [20.4120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ba2Ca(GaO3)2]
_chemical_formula_sum '[Ba4 Ca2 Ga4 O12]'
_cell_volume [312.4289]
_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  0.0000  0.0000  0.3216  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0000  0.0000  0.0942  1
  O  O3  8  0.0000  0.5000  0.0746  1
  O  O4  4  0.0000  0.0000  0.1879  1
]