data_[Si2Ge2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.0750]
_cell_length_b [4.9385]
_cell_length_c [8.9593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3379]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SiGeCl]
_chemical_formula_sum '[Si2 Ge2 Cl2]'
_cell_volume [180.2986]
_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
[
  Si  Si0  2  0.2303  0.2500  0.6231  1
  Ge  Ge1  2  0.2679  0.7500  0.5341  1
  Cl  Cl2  2  0.2521  0.2500  0.8539  1
]