data_[Ca10H2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [7.1738]
_cell_length_b [7.1738]
_cell_length_c [9.4063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Ca5HPb2]
_chemical_formula_sum '[Ca10 H2 Pb4]'
_cell_volume [484.0882]
_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  8  0.2468  0.2468  0.9948  1
  Ca  Ca1  2  0.0000  0.0000  0.2469  1
  H  H2  2  0.0000  0.0000  0.0095  1
  Pb  Pb3  4  0.0000  0.5000  0.2436  1
]