data_[Ba2Sm2Ga2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  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 [5.8328]
_cell_length_b [5.9099]
_cell_length_c [7.2849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSmGaO4]
_chemical_formula_sum '[Ba2 Sm2 Ga2 O8]'
_cell_volume [238.6784]
_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  0.2888  0.2500  0.0694  1.0
  Sm  Sm1  2  0.1977  0.2500  0.5402  1.0
  Ga  Ga2  2  0.2572  0.7500  0.3273  1.0
  O  O3  4  0.0307  0.5138  0.2959  1.0
  O  O4  2  0.4534  0.7500  0.1692  1.0
  O  O5  2  0.4695  0.7500  0.5757  1.0
]