data_[Na2Sc2Cu2Te6]
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 [P2_1/m]
_cell_length_a [8.9443]
_cell_length_b [4.0055]
_cell_length_c [9.9504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaScCuTe3]
_chemical_formula_sum '[Na2 Sc2 Cu2 Te6]'
_cell_volume [334.3151]
_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  2  0.2036  0.2500  0.2427  1.0
  Sc  Sc1  2  0.3247  0.7500  0.8418  1.0
  Cu  Cu2  2  0.0786  0.2500  0.5890  1.0
  Te  Te3  2  0.1006  0.2500  0.8578  1.0
  Te  Te4  2  0.2337  0.7500  0.5297  1.0
  Te  Te5  2  0.4378  0.7500  0.1571  1.0
]