data_[Ba4Ga12Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6951]
_cell_length_b [6.5314]
_cell_length_c [7.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.4946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BaGa3Os]
_chemical_formula_sum '[Ba4 Ga12 Os4]'
_cell_volume [461.5068]
_cell_formula_units_Z [4]
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  0.0087  0.5000  0.3807  1.0
  Ba  Ba1  2  0.2515  0.0000  0.7514  1.0
  Ga  Ga2  4  0.0376  0.2994  0.8366  1.0
  Ga  Ga3  4  0.2324  0.2557  0.3028  1.0
  Ga  Ga4  2  0.3029  0.5000  0.8396  1.0
  Ga  Ga5  2  0.4462  0.5000  0.2862  1.0
  Os  Os6  2  0.0630  0.0000  0.0878  1.0
  Os  Os7  2  0.3918  0.5000  0.5754  1.0
]