data_[Mg1Ge2Pb1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.2270]
_cell_length_b [6.6942]
_cell_length_c [8.2814]
_cell_angle_alpha [91.1087]
_cell_angle_beta [90.0167]
_cell_angle_gamma [92.9509]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgGe2PbCl8]
_chemical_formula_sum '[Mg1 Ge2 Pb1 Cl8]'
_cell_volume [344.6855]
_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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge1  2  0.4625  0.5499  0.7667  1.0
  Pb  Pb2  1  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  2  0.2013  0.1826  0.7849  1.0
  Cl  Cl4  2  0.2424  0.6912  0.9694  1.0
  Cl  Cl5  2  0.2556  0.1381  0.2238  1.0
  Cl  Cl6  2  0.2765  0.6613  0.5343  1.0
]