data_[Na12Ga4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7976]
_cell_length_b [13.8043]
_cell_length_c [7.7167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3GaTe3]
_chemical_formula_sum '[Na12 Ga4 Te12]'
_cell_volume [927.2944]
_cell_formula_units_Z [4]
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  0.1714  0.5000  1.0
  Na  Na1  4  0.0000  0.2355  0.0000  1.0
  Na  Na2  4  0.0865  0.5000  0.3465  1.0
  Ga  Ga3  4  0.1847  0.0000  0.1411  1.0
  Te  Te4  8  0.1899  0.3419  0.7245  1.0
  Te  Te5  4  0.1104  0.0000  0.7902  1.0
]