data_[Ba10Ga10Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8018]
_cell_length_b [4.2545]
_cell_length_c [12.2902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba5Ga5Si2]
_chemical_formula_sum '[Ba10 Ga10 Si4]'
_cell_volume [755.2863]
_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  0.1297  0.5000  0.3280  1
  Ba  Ba1  4  0.1972  0.5000  0.0884  1
  Ba  Ba2  2  0.0000  0.0000  0.5000  1
  Ga  Ga3  4  0.0609  0.0000  0.8334  1
  Ga  Ga4  4  0.1917  0.5000  0.6490  1
  Ga  Ga5  2  0.0000  0.0000  0.0000  1
  Si  Si6  4  0.1073  0.5000  0.7684  1
]