data_[Nb2Te2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.3610]
_cell_length_b [3.3610]
_cell_length_c [12.0115]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NbTeMo]
_chemical_formula_sum '[Nb2 Te2 Mo2]'
_cell_volume [117.5105]
_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
[
  Nb  Nb0  1  0.0000  0.0000  0.0000  1
  Nb  Nb1  1  0.6667  0.3333  0.5000  1
  Te  Te2  2  0.6667  0.3333  0.8294  1
  Mo  Mo3  2  0.0000  0.0000  0.3368  1
]