data_[Ca2Al2Ga2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2262]
_cell_length_b [5.4947]
_cell_length_c [6.4949]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5591]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaAlGaO4]
_chemical_formula_sum '[Ca2 Al2 Ga2 O8]'
_cell_volume [177.8191]
_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
[
  Ca  Ca0  2  0.2922  0.2500  0.0393  1
  Al  Al1  2  0.2751  0.7500  0.3247  1
  Ga  Ga2  2  0.1286  0.2500  0.4880  1
  O  O3  4  0.0035  0.5284  0.3036  1
  O  O4  2  0.3766  0.7500  0.0969  1
  O  O5  2  0.4620  0.2500  0.4300  1
]