data_[Cs1Mg4Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mg  1.3100  1.5000  0.8600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [8.7668]
_cell_length_b [8.7668]
_cell_length_c [5.3000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cs(Mg2Pb3)2]
_chemical_formula_sum '[Cs1 Mg4 Pb6]'
_cell_volume [352.7702]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  3  0.4246  0.2123  0.5000  1.0
  Mg  Mg2  1  0.3333  0.6667  0.0000  1.0
  Pb  Pb3  3  0.2027  0.4054  0.5000  1.0
  Pb  Pb4  3  0.5350  0.0700  0.0000  1.0
]