data_[Na6Te2Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6232]
_cell_length_b [7.6734]
_cell_length_c [7.9278]
_cell_angle_alpha [61.3902]
_cell_angle_beta [83.2047]
_cell_angle_gamma [86.6239]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3TeSe]
_chemical_formula_sum '[Na6 Te2 Se2]'
_cell_volume [298.1997]
_cell_formula_units_Z [2]
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  1  0.0029  0.5183  0.6424  1
  Na  Na1  1  0.3298  0.0203  0.3776  1
  Na  Na2  1  0.4082  0.6655  0.9225  1
  Na  Na3  1  0.4872  0.2319  0.7367  1
  Na  Na4  1  0.8696  0.3558  0.2853  1
  Na  Na5  1  0.9244  0.9163  0.1709  1
  Te  Te6  1  0.4690  0.6294  0.3344  1
  Te  Te7  1  0.9902  0.0506  0.7334  1
  Se  Se8  1  0.1804  0.2980  0.0096  1
  Se  Se9  1  0.7662  0.8856  0.5644  1
]