data_[Ba10Ga8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3939]
_cell_length_b [5.7918]
_cell_length_c [11.2778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ga4]
_chemical_formula_sum '[Ba10 Ga8]'
_cell_volume [646.6923]
_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  0.1229  0.0000  0.3991  1.0
  Ba  Ba1  4  0.2303  0.5000  0.1851  1.0
  Ba  Ba2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0586  0.5000  0.6180  1.0
  Ga  Ga4  4  0.1110  0.5000  0.8538  1.0
]