data_[Na2In2Ga2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1103]
_cell_length_b [4.3359]
_cell_length_c [11.1391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaInGaTe3]
_chemical_formula_sum '[Na2 In2 Ga2 Te6]'
_cell_volume [425.7969]
_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  0.1994  0.2500  0.1817  1.0
  In  In1  2  0.3359  0.7500  0.8857  1.0
  Ga  Ga2  2  0.0700  0.2500  0.6194  1.0
  Te  Te3  2  0.0718  0.2500  0.8542  1.0
  Te  Te4  2  0.2077  0.7500  0.5469  1.0
  Te  Te5  2  0.4485  0.7500  0.1609  1.0
]