data_Gd2CCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   29.75
_cell_angle_beta   29.75
_cell_angle_gamma   29.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2CCl
_chemical_formula_sum   'Gd2 C1 Cl1'
_cell_volume   81.56
_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
  Gd  Gd0  1  0.0  0.0  0.07  1.0
  Gd  Gd1  1  0.0  0.0  0.58  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.32  1.0

data_Gd2CCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   3.7
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Gd2CCl
_chemical_formula_sum   'Gd4 C2 Cl2'
_cell_volume   163.11
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Gd  Gd0  2  0.0  0.0  0.42  1.0
  Gd  Gd1  2  0.0  0.0  0.93  1.0
  C  C2  2  0.0  0.0  0.0  1.0
  Cl  Cl3  2  0.0  0.0  0.68  1.0

Gd Gd C Cl
Gd Gd C Cl 0 2 o o o 0 3 o o o 1 3 o o o 