data_[Ce4Ge1S1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0024]
_cell_length_b [4.1504]
_cell_length_c [7.1029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4GeSCl2]
_chemical_formula_sum '[Ce4 Ge1 S1 Cl2]'
_cell_volume [193.6595]
_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
[
  Ce  Ce0  2  0.2517  0.0000  0.7414  1
  Ce  Ce1  2  0.2589  0.5000  0.2616  1
  Ge  Ge2  1  0.5000  0.5000  0.0000  1
  S  S3  1  0.5000  0.0000  0.5000  1
  Cl  Cl4  1  0.0000  0.0000  0.0000  1
  Cl  Cl5  1  0.0000  0.5000  0.5000  1
]