data_[Na4Sc2Cu4Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2286]
_cell_length_b [4.0809]
_cell_length_c [8.1296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Sc(CuTe2)2]
_chemical_formula_sum '[Na4 Sc2 Cu4 Te8]'
_cell_volume [469.0122]
_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  0.1281  0.0000  0.5633  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1876  0.5000  0.9913  1.0
  Te  Te3  4  0.0134  0.5000  0.7533  1.0
  Te  Te4  4  0.2066  0.0000  0.2066  1.0
]