data_[Na4Ca8In4Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.0001]
_cell_length_b [9.0409]
_cell_length_c [12.4952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaCa2InTe4]
_chemical_formula_sum '[Na4 Ca8 In4 Te16]'
_cell_volume [1016.7261]
_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  0.0000  0.0000  1
  Ca  Ca1  4  0.0000  0.0000  0.5000  1
  Ca  Ca2  4  0.2500  0.2500  0.7500  1
  In  In3  4  0.2500  0.2500  0.2500  1
  Te  Te4  8  0.0000  0.0034  0.2496  1
  Te  Te5  8  0.2474  0.2500  0.4857  1
]