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 [C2/m]
_cell_length_a [17.4086]
_cell_length_b [4.0213]
_cell_length_c [7.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3510]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaGa3Os]
_chemical_formula_sum '[Ba4 Ga12 Os4]'
_cell_volume [480.4768]
_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  4  0.0997  0.0000  0.6844  1
  Ga  Ga1  4  0.0697  0.0000  0.1616  1
  Ga  Ga2  4  0.2062  0.5000  0.0456  1
  Ga  Ga3  4  0.2438  0.0000  0.3600  1
  Os  Os4  4  0.1453  0.5000  0.3217  1
]