data_GaCuCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   5.32
_cell_angle_alpha   108.83
_cell_angle_beta   108.83
_cell_angle_gamma   34.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuCl2
_chemical_formula_sum   'Ga1 Cu1 Cl2'
_cell_volume   106.89
_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  0.39  0.0  0.71  1.0
  Cu  Cu2  1  0.3  0.0  0.76  1.0
  Cl  Cl0  1  0.86  0.0  0.1  1.0
  Cl  Cl1  1  0.01  0.0  0.95  1.0

data_GaCuCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.32
_cell_length_c   6.13
_cell_angle_alpha   108.83
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCuCl2
_chemical_formula_sum   'Ga1 Cu1 Cl2'
_cell_volume   106.89
_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  0.71  0.39  1.0
  Cu  Cu1  1  0.0  0.76  0.3  1.0
  Cl  Cl2  1  0.0  0.1  0.86  1.0
  Cl  Cl3  1  0.0  0.95  0.01  1.0

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