data_LaMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   150.14
_cell_angle_beta   131.75
_cell_angle_gamma   57.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Ga
_chemical_formula_sum   'La1 Mg2 Ga1'
_cell_volume   102.01
_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  0.7  1.0
  Mg  Mg2  1  0.0  0.66  0.23  1.0
  Mg  Mg3  1  0.68  0.0  0.47  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_LaMg2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.33
_cell_length_c   6.52
_cell_angle_alpha   114.13
_cell_angle_beta   104.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Ga
_chemical_formula_sum   'La1 Mg2 Ga1'
_cell_volume   102.01
_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  0.7  0.7  1.0
  Mg  Mg1  1  0.0  0.47  0.79  1.0
  Mg  Mg2  1  0.34  0.57  0.57  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

La Mg Mg Ga
La Mg Mg Ga 0 2 - o o 0 1 o - o 0 3 o o + 