data_GaSiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   145.45
_cell_angle_beta   145.45
_cell_angle_gamma   49.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSiCl2
_chemical_formula_sum   'Ga1 Si1 Cl2'
_cell_volume   91.63
_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  0.0  0.96  0.99  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.96  0.0  0.99  1.0
  Cl  Cl1  1  0.0  0.0  0.98  1.0

data_GaSiCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   114.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaSiCl2
_chemical_formula_sum   'Ga2 Si2 Cl4'
_cell_volume   183.27
_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  0.46  0.5  0.97  1.0
  Si  Si1  2  0.5  0.5  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.97  1.0
  Cl  Cl3  2  0.0  0.0  0.02  1.0

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