data_[Na4Sc4Cu4Te12]
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 [Pnma]
_cell_length_a [14.8812]
_cell_length_b [4.0146]
_cell_length_c [10.9677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaScCuTe3]
_chemical_formula_sum '[Na4 Sc4 Cu4 Te12]'
_cell_volume [655.2237]
_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  0.2220  0.2500  0.9479  1
  Sc  Sc1  4  0.0116  0.2500  0.6644  1
  Cu  Cu2  4  0.0110  0.7500  0.9117  1
  Te  Te3  4  0.1023  0.7500  0.1190  1
  Te  Te4  4  0.1115  0.2500  0.4335  1
  Te  Te5  4  0.1380  0.7500  0.7450  1
]