data_[Ca8H2Pb4]
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 [P2_1/m]
_cell_length_a [6.2713]
_cell_length_b [6.9938]
_cell_length_c [9.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca4HPb2]
_chemical_formula_sum '[Ca8 H2 Pb4]'
_cell_volume [398.7229]
_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  4  0.2581  0.5004  0.7206  1.0
  Ca  Ca1  2  0.1636  0.7500  0.0600  1.0
  Ca  Ca2  2  0.2638  0.2500  0.3585  1.0
  H  H3  2  0.0782  0.7500  0.7928  1.0
  Pb  Pb4  2  0.2307  0.7500  0.4131  1.0
  Pb  Pb5  2  0.3748  0.2500  0.0308  1.0
]