data_[Ta2Nb12Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3508]
_cell_length_b [3.2389]
_cell_length_c [9.7755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(Nb3Os)2]
_chemical_formula_sum '[Ta2 Nb12 Os4]'
_cell_volume [309.4658]
_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  2  0.0000  0.0000  0.0000  1
  Nb  Nb1  4  0.0017  0.0000  0.6701  1
  Nb  Nb2  4  0.1700  0.5000  0.5573  1
  Nb  Nb3  4  0.1715  0.5000  0.8878  1
  Os  Os4  4  0.1619  0.5000  0.2184  1
]