data_[Ca4Tl2Hg2Pb2]
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
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4373]
_cell_length_b [5.0249]
_cell_length_c [8.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2TlHgPb]
_chemical_formula_sum '[Ca4 Tl2 Hg2 Pb2]'
_cell_volume [294.3238]
_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  0.0133  0.7500  0.3430  1.0
  Ca  Ca1  2  0.4384  0.7500  0.1656  1.0
  Tl  Tl2  2  0.1358  0.2500  0.0634  1.0
  Hg  Hg3  2  0.3270  0.2500  0.4451  1.0
  Pb  Pb4  2  0.2795  0.7500  0.7292  1.0
]