data_[Na4Ca8Bi4Te16]
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
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [9.0805]
_cell_length_b [9.0971]
_cell_length_c [12.7315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [NaCa2BiTe4]
_chemical_formula_sum '[Na4 Ca8 Bi4 Te16]'
_cell_volume [1051.6991]
_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  1.0
  Ca  Ca1  4  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  4  0.2500  0.2500  0.7500  1.0
  Bi  Bi3  4  0.2500  0.2500  0.2500  1.0
  Te  Te4  8  0.0000  0.0046  0.2503  1.0
  Te  Te5  8  0.2454  0.2500  0.4990  1.0
]