data_[Na8Sc6Cu2Te16]
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 [14.7517]
_cell_length_b [8.2991]
_cell_length_c [8.9506]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.7547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Sc3CuTe8]
_chemical_formula_sum '[Na8 Sc6 Cu2 Te16]'
_cell_volume [931.7514]
_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  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Sc  Sc3  4  0.2500  0.2500  0.5000  1.0
  Sc  Sc4  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu5  2  0.0000  0.0000  0.5000  1.0
  Te  Te6  8  0.0135  0.2294  0.3004  1.0
  Te  Te7  4  0.2370  0.5000  0.7213  1.0
  Te  Te8  4  0.2381  0.5000  0.2632  1.0
]