data_[Na2Mg2Sc4Te8]
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 [I-4m2]
_cell_length_a [5.9978]
_cell_length_b [5.9978]
_cell_length_c [12.1007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaMg(ScTe2)2]
_chemical_formula_sum '[Na2 Mg2 Sc4 Te8]'
_cell_volume [435.3054]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  2  0.0000  0.5000  0.7500  1
  Sc  Sc2  2  0.0000  0.0000  0.5000  1
  Sc  Sc3  2  0.0000  0.5000  0.2500  1
  Te  Te4  4  0.0000  0.0000  0.2583  1
  Te  Te5  4  0.0000  0.5000  0.0025  1
]