data_LaGa2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   146.53
_cell_angle_beta   131.96
_cell_angle_gamma   59.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2B
_chemical_formula_sum   'La1 Ga2 B1'
_cell_volume   76.76
_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
  La  La3  1  0.0  0.0  0.97  1.0
  Ga  Ga1  1  0.0  0.34  0.97  1.0
  Ga  Ga2  1  0.65  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_LaGa2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.67
_cell_length_c   5.74
_cell_angle_alpha   114.02
_cell_angle_beta   106.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2B
_chemical_formula_sum   'La1 Ga2 B1'
_cell_volume   76.76
_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
  La  La0  1  0.0  0.97  0.97  1.0
  Ga  Ga1  1  0.0  0.0  0.35  1.0
  Ga  Ga2  1  0.66  0.64  0.64  1.0
  B  B3  1  0.0  0.0  0.0  1.0

La Ga Ga B