data_Ga2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   6.76
_cell_angle_alpha   93.05
_cell_angle_beta   93.05
_cell_angle_gamma   60.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2AsCl
_chemical_formula_sum   'Ga2 As1 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
  Ga  Ga2  1  0.67  0.0  0.1  1.0
  Ga  Ga3  1  0.96  0.0  0.65  1.0
  As  As0  1  0.32  0.0  0.37  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Ga2AsCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   7.07
_cell_length_c   6.76
_cell_angle_alpha   90.0
_cell_angle_beta   93.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2AsCl
_chemical_formula_sum   'Ga4 As2 Cl2'
_cell_volume   194.17
_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
  Ga  Ga0  2  0.17  0.5  0.1  1.0
  Ga  Ga1  2  0.46  0.5  0.65  1.0
  As  As2  2  0.32  0.0  0.37  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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