data_Ga2BCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   4.54
_cell_angle_alpha   116.92
_cell_angle_beta   116.92
_cell_angle_gamma   95.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BCl
_chemical_formula_sum   'Ga2 B1 Cl1'
_cell_volume   68.93
_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  0.37  0.53  1.0
  Ga  Ga3  1  0.37  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.0  0.0  0.06  1.0

data_Ga2BCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.11
_cell_length_b   6.72
_cell_length_c   4.54
_cell_angle_alpha   90.0
_cell_angle_beta   132.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga2BCl
_chemical_formula_sum   'Ga4 B2 Cl2'
_cell_volume   137.86
_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  4  0.16  0.31  0.47  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.44  0.5  0.94  1.0

Ga Ga B Cl
Ga Ga B Cl 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 