data_LaNb2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   133.19
_cell_angle_beta   133.19
_cell_angle_gamma   68.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNb2Ga
_chemical_formula_sum   'La1 Nb2 Ga1'
_cell_volume   83.2
_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  La1  1  0.0  0.0  0.49  1.0
  Nb  Nb2  1  0.0  0.15  0.24  1.0
  Nb  Nb3  1  0.15  0.0  0.24  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_LaNb2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   124.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaNb2Ga
_chemical_formula_sum   'La2 Nb4 Ga2'
_cell_volume   166.4
_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
  La  La0  2  0.01  0.5  0.51  1.0
  Nb  Nb1  4  0.33  0.42  0.91  1.0
  Ga  Ga2  2  0.0  0.0  0.0  1.0

La Nb Nb Ga
La Nb Nb Ga 0 1 o o o 0 2 o o o 1 3 o o o 1 2 o o o 2 3 o o o 