data_[Tm6Te2Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [8.1545]
_cell_length_b [8.1545]
_cell_length_c [4.1922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Tm6Te2Mo]
_chemical_formula_sum '[Tm6 Te2 Mo1]'
_cell_volume [241.4178]
_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
[
  Tm  Tm0  3  0.0000  0.3870  0.5000  1.0
  Tm  Tm1  3  0.0000  0.7630  0.0000  1.0
  Te  Te2  2  0.3333  0.6667  0.0000  1.0
  Mo  Mo3  1  0.0000  0.0000  0.5000  1.0
]