data_[Nb4Sn4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Sn  1.9600  1.4500  0.8300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9991]
_cell_length_b [4.7232]
_cell_length_c [7.4920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbSnOs]
_chemical_formula_sum '[Nb4 Sn4 Os4]'
_cell_volume [241.8238]
_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
[
  Nb  Nb0  4  0.0940  0.5000  0.8535  1.0
  Sn  Sn1  4  0.1658  0.0000  0.3386  1.0
  Os  Os2  4  0.2139  0.0000  0.7571  1.0
]