data_[Na3Sc1Te3]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.6124]
_cell_length_b [4.6878]
_cell_length_c [19.1199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na3ScTe3]
_chemical_formula_sum '[Na3 Sc1 Te3]'
_cell_volume [682.3073]
_cell_formula_units_Z [1]
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  1  0.4374  0.0000  0.5971  1
  Na  Na1  1  0.6154  0.0000  0.3919  1
  Na  Na2  1  0.9433  0.0000  0.5395  1
  Sc  Sc3  1  0.2878  0.5000  0.4724  1
  Te  Te4  1  0.1647  0.5000  0.6074  1
  Te  Te5  1  0.1938  0.0000  0.3975  1
  Te  Te6  1  0.6527  0.5000  0.4941  1
]