data_[Ca4Tl2Pb2Au2]
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
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7891]
_cell_length_b [4.8900]
_cell_length_c [8.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2TlPbAu]
_chemical_formula_sum '[Ca4 Tl2 Pb2 Au2]'
_cell_volume [290.2186]
_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  0.0378  0.7500  0.7045  1.0
  Ca  Ca1  2  0.3513  0.2500  0.1249  1.0
  Tl  Tl2  2  0.3159  0.7500  0.4396  1.0
  Pb  Pb3  2  0.3290  0.2500  0.7014  1.0
  Au  Au4  2  0.0562  0.7500  0.0907  1.0
]