data_[Na4Ca2Tl4In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.5051]
_cell_length_b [9.9949]
_cell_length_c [8.0324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaTl2In]
_chemical_formula_sum '[Na4 Ca2 Tl4 In2]'
_cell_volume [361.6812]
_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  0.1765  0.3676  1.0
  Na  Na1  2  0.5000  0.0738  0.0506  1.0
  Ca  Ca2  2  0.0000  0.4421  0.9643  1.0
  Tl  Tl3  2  0.0000  0.1330  0.7664  1.0
  Tl  Tl4  2  0.5000  0.3695  0.2516  1.0
  In  In5  2  0.5000  0.3234  0.6451  1.0
]