data_CaGa2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   6.48
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Cl
_chemical_formula_sum   'Ca1 Ga2 Cl1'
_cell_volume   97.04
_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
  Ca  Ca0  1  0.88  0.0  0.96  1.0
  Ga  Ga2  1  0.97  0.24  0.89  1.0
  Ga  Ga3  1  0.79  0.24  0.04  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_CaGa2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   3.93
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGa2Cl
_chemical_formula_sum   'Ca1 Ga2 Cl1'
_cell_volume   97.04
_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
  Ca  Ca0  1  0.12  0.04  0.0  1.0
  Ga  Ga1  1  0.03  0.11  0.76  1.0
  Ga  Ga2  1  0.21  0.96  0.76  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ca Ga Ga Cl
Ca Ga Ga Cl 0 3 + o + 1 2 o o + 