data_[Ca2Tl4Zn2Sb4]
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
  Zn  1.6500  1.3500  0.8800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6889]
_cell_length_b [10.1832]
_cell_length_c [7.6069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CaTl2ZnSb2]
_chemical_formula_sum '[Ca2 Tl4 Zn2 Sb4]'
_cell_volume [363.2217]
_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  0.4645  0.0063  1.0
  Tl  Tl1  2  0.0000  0.1485  0.3409  1.0
  Tl  Tl2  2  0.5000  0.1138  0.0083  1.0
  Zn  Zn3  2  0.5000  0.3550  0.6640  1.0
  Sb  Sb4  2  0.0000  0.2221  0.7424  1.0
  Sb  Sb5  2  0.5000  0.3826  0.2837  1.0
]