data_[Ca4Tl2Sn2Pb2]
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
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1314]
_cell_length_b [5.2133]
_cell_length_c [8.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7761]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2TlSnPb]
_chemical_formula_sum '[Ca4 Tl2 Sn2 Pb2]'
_cell_volume [306.8847]
_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  0.0021  0.2500  0.3340  1.0
  Ca  Ca1  2  0.4322  0.2500  0.1238  1.0
  Tl  Tl2  2  0.3382  0.7500  0.4560  1.0
  Sn  Sn3  2  0.2990  0.2500  0.7082  1.0
  Pb  Pb4  2  0.1367  0.7500  0.0662  1.0
]