data_[Ta4Tc2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Tc  1.9000  1.3500  0.7417
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [7.4158]
_cell_length_b [7.4158]
_cell_length_c [3.0333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ta2TcOs2]
_chemical_formula_sum '[Ta4 Tc2 Os4]'
_cell_volume [166.8126]
_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
[
  Ta  Ta0  4  0.1667  0.6667  0.5000  1
  Tc  Tc1  2  0.0000  0.0000  0.0000  1
  Os  Os2  4  0.1339  0.3661  0.0000  1
]