data_[Na6Mg2Sc4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  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 [7.2656]
_cell_length_b [12.5973]
_cell_length_c [8.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Mg(ScTe3)2]
_chemical_formula_sum '[Na6 Mg2 Sc4 Te12]'
_cell_volume [701.9678]
_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  0.1660  0.5000  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3333  0.0000  1.0
  Te  Te4  8  0.2421  0.8313  0.2204  1.0
  Te  Te5  4  0.2361  0.5000  0.2207  1.0
]