data_[Ca16Rh4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2728]
_cell_length_b [14.0966]
_cell_length_c [6.2671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2290]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ca4RhPb]
_chemical_formula_sum '[Ca16 Rh4 Pb4]'
_cell_volume [747.0474]
_cell_formula_units_Z [4]
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  0.1129  0.1664  0.5662  1.0
  Ca  Ca1  8  0.2173  0.4336  0.8316  1.0
  Rh  Rh2  4  0.0000  0.0018  0.7500  1.0
  Pb  Pb3  4  0.0000  0.3654  0.2500  1.0
]