data_[Yb3Te2Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.3811]
_cell_length_b [4.3811]
_cell_length_c [10.7615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Yb3Te2Se]
_chemical_formula_sum '[Yb3 Te2 Se1]'
_cell_volume [178.8838]
_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
[
  Yb  Yb0  2  0.3333  0.6667  0.8483  1
  Yb  Yb1  1  0.0000  0.0000  0.5000  1
  Te  Te2  2  0.3333  0.6667  0.3263  1
  Se  Se3  1  0.0000  0.0000  0.0000  1
]