data_[Ba10Ga4Sn10]
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 [C2/m]
_cell_length_a [18.3172]
_cell_length_b [4.4078]
_cell_length_c [13.3125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ga2Sn5]
_chemical_formula_sum '[Ba10 Ga4 Sn10]'
_cell_volume [882.0462]
_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  0.1173  0.5000  0.3094  1
  Ba  Ba1  4  0.1909  0.5000  0.0880  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.1196  0.5000  0.7549  1
  Sn  Sn4  4  0.0756  0.0000  0.8263  1
  Sn  Sn5  4  0.1956  0.5000  0.6297  1
  Sn  Sn6  2  0.0000  0.0000  0.0000  1
]