data_[Ca2Tl4In2Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tl  1.6200  1.9000  1.3325
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6768]
_cell_length_b [10.7513]
_cell_length_c [7.5588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaTl2InSb2]
_chemical_formula_sum '[Ca2 Tl4 In2 Sb4]'
_cell_volume [380.0631]
_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
[
  Ca  Ca0  2  0.0000  0.4235  0.9842  1.0
  Tl  Tl1  2  0.0000  0.1724  0.3228  1.0
  Tl  Tl2  2  0.5000  0.0370  0.0487  1.0
  In  In3  2  0.5000  0.3199  0.6525  1.0
  Sb  Sb4  2  0.0000  0.1656  0.7601  1.0
  Sb  Sb5  2  0.5000  0.4125  0.2772  1.0
]