data_[Na4Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4404]
_cell_length_b [4.6486]
_cell_length_c [10.4318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSbTe]
_chemical_formula_sum '[Na4 Sb4 Te4]'
_cell_volume [439.2630]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0673  0.0000  0.3842  1.0
  Sb  Sb1  4  0.1702  0.0000  0.0142  1.0
  Te  Te2  4  0.1653  0.5000  0.6732  1.0
]