data_[Na4Ca2Tl2Bi4]
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
  Tl  1.6200  1.9000  1.3325
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.8120]
_cell_length_b [9.8020]
_cell_length_c [8.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaTlBi2]
_chemical_formula_sum '[Na4 Ca2 Tl2 Bi4]'
_cell_volume [388.1587]
_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  0.0000  0.1881  0.3687  1.0
  Na  Na1  2  0.5000  0.0755  0.0604  1.0
  Ca  Ca2  2  0.0000  0.4288  0.9589  1.0
  Tl  Tl3  2  0.5000  0.2972  0.6342  1.0
  Bi  Bi4  2  0.0000  0.1284  0.7761  1.0
  Bi  Bi5  2  0.5000  0.3921  0.2474  1.0
]