data_[Na1Sc1Te2]
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 [3.9914]
_cell_length_b [18.9803]
_cell_length_c [9.5572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1616]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaScTe2]
_chemical_formula_sum '[Na1 Sc1 Te2]'
_cell_volume [716.7024]
_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  0.1684  0.5000  0.1770  1
  Sc  Sc1  1  0.7689  0.5000  0.4720  1
  Te  Te2  2  0.2493  0.3951  0.4145  1
]