data_[Te3Mo2Se1]
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 [P3m1]
_cell_length_a [3.4995]
_cell_length_b [3.4995]
_cell_length_c [15.0951]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Te3Mo2Se]
_chemical_formula_sum '[Te3 Mo2 Se1]'
_cell_volume [160.0950]
_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  1  0.0000  0.0000  0.6339  1.0
  Te  Te1  1  0.6667  0.3333  0.1273  1.0
  Te  Te2  1  0.6667  0.3333  0.3702  1.0
  Mo  Mo3  1  0.0000  0.0000  0.2488  1.0
  Mo  Mo4  1  0.6667  0.3333  0.7567  1.0
  Se  Se5  1  0.0000  0.0000  0.8631  1.0
]