data_[Ce6Mg2Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmna]
_cell_length_a [10.4577]
_cell_length_b [6.6430]
_cell_length_c [6.6869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [Ce3MgPb4]
_chemical_formula_sum '[Ce6 Mg2 Pb8]'
_cell_volume [464.5379]
_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
[
  Ce  Ce0  4  0.2500  0.2453  0.7500  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb3  4  0.2500  0.2543  0.2500  1.0
  Pb  Pb4  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
]