data_[Te4Mo3Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Mo  2.1600  1.4500  0.7750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4787]
_cell_length_b [3.4787]
_cell_length_c [31.9872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Te4Mo3Se2]
_chemical_formula_sum '[Te4 Mo3 Se2]'
_cell_volume [335.2262]
_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
[
  Te  Te0  2  0.3333  0.6667  0.1738  1
  Te  Te1  2  0.3333  0.6667  0.7112  1
  Mo  Mo2  2  0.0000  0.0000  0.2313  1
  Mo  Mo3  1  0.3333  0.6667  0.0000  1
  Se  Se4  2  0.0000  0.0000  0.0508  1
]