data_[Na4Zr4Sc2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1103]
_cell_length_b [12.3379]
_cell_length_c [8.1869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1247]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Zr2ScTe6]
_chemical_formula_sum '[Na4 Zr4 Sc2 Te12]'
_cell_volume [686.3669]
_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  4  0.0000  0.1666  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3317  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2435  0.1650  0.7238  1.0
  Te  Te4  4  0.2385  0.5000  0.7211  1.0
]