data_[Tc1Mo1Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [5.5240]
_cell_length_b [5.5240]
_cell_length_c [4.3690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [TcMoOs6]
_chemical_formula_sum '[Tc1 Mo1 Os6]'
_cell_volume [115.4560]
_cell_formula_units_Z [1]
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
[
  Tc  Tc0  1  0.6667  0.3333  0.5000  1
  Mo  Mo1  1  0.0000  0.0000  0.0000  1
  Os  Os2  3  0.1680  0.3361  0.5000  1
  Os  Os3  3  0.5011  0.0023  0.0000  1
]