data_[Ta4Ga4Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.5580]
_cell_length_b [8.0076]
_cell_length_c [5.5345]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [TaGaOs2]
_chemical_formula_sum '[Ta4 Ga4 Os8]'
_cell_volume [246.3180]
_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
[
  Ta  Ta0  4  0.0344  0.2500  0.5788  1
  Ga  Ga1  4  0.0777  0.2500  0.0768  1
  Os  Os2  8  0.1920  0.5087  0.8163  1
]