data_GaCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.46
_cell_angle_alpha   106.76
_cell_angle_beta   106.76
_cell_angle_gamma   91.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoCl2
_chemical_formula_sum   'Ga1 Co1 Cl2'
_cell_volume   85.86
_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
  Ga  Ga3  1  0.65  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.11  0.87  0.58  1.0
  Cl  Cl1  1  0.11  0.13  0.58  1.0

data_GaCoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   91.27
_cell_angle_beta   106.76
_cell_angle_gamma   106.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCoCl2
_chemical_formula_sum   'Ga1 Co1 Cl2'
_cell_volume   85.86
_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
  Ga  Ga0  1  0.0  0.65  0.0  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.58  0.11  0.87  1.0
  Cl  Cl3  1  0.58  0.11  0.13  1.0

Ga Co Cl Cl
Ga Co Cl Cl 0 1 + o o 1 2 o - - 1 3 o o - 1 3 o o o 2 3 o + o 