data_[Ba3Ga2Sn7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.7348]
_cell_length_b [5.0478]
_cell_length_c [15.9120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba3Ga2Sn7]
_chemical_formula_sum '[Ba3 Ga2 Sn7]'
_cell_volume [377.4201]
_cell_formula_units_Z [1]
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  0.1813  0.0000  0.3626  1
  Ba  Ba1  1  0.5000  0.5000  0.0000  1
  Ga  Ga2  2  0.3843  0.5000  0.7318  1
  Sn  Sn3  2  0.0722  0.5000  0.1657  1
  Sn  Sn4  2  0.2733  0.5000  0.5536  1
  Sn  Sn5  2  0.4172  0.0000  0.8328  1
  Sn  Sn6  1  0.0000  0.0000  0.0000  1
]