data_[Tb2Ta2Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ta  1.5000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.4865]
_cell_length_b [4.4865]
_cell_length_c [6.6715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [TbTaOs]
_chemical_formula_sum '[Tb2 Ta2 Os2]'
_cell_volume [134.2871]
_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
[
  Tb  Tb0  2  0.0000  0.5000  0.1426  1.0
  Ta  Ta1  2  0.0000  0.0000  0.5000  1.0
  Os  Os2  2  0.0000  0.5000  0.6991  1.0
]