data_[Sr2Tl2Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8273]
_cell_length_b [4.7838]
_cell_length_c [10.9416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [SrTlPb]
_chemical_formula_sum '[Sr2 Tl2 Pb2]'
_cell_volume [200.3276]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.1619  1.0
  Sr  Sr1  1  0.0000  0.5000  0.8176  1.0
  Tl  Tl2  1  0.0000  0.5000  0.4907  1.0
  Tl  Tl3  1  0.5000  0.0000  0.6420  1.0
  Pb  Pb4  1  0.5000  0.0000  0.3337  1.0
  Pb  Pb5  1  0.5000  0.0000  0.9926  1.0
]