data_LaZrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.62
_cell_length_c   3.5
_cell_angle_alpha   75.3
_cell_angle_beta   74.14
_cell_angle_gamma   30.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrGa
_chemical_formula_sum   'La1 Zr1 Ga1'
_cell_volume   75.5
_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  0.43  0.52  0.15  1.0
  Zr  Zr2  1  0.43  0.52  0.43  1.0
  Ga  Ga0  1  0.43  0.52  0.09  1.0

data_LaZrGa
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.5
_cell_length_b   12.33
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   LaZrGa
_chemical_formula_sum   'La2 Zr2 Ga2'
_cell_volume   151.11
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.0  0.0  0.33  1.0
  Zr  Zr1  2  0.0  0.0  0.05  1.0
  Ga  Ga2  2  0.0  0.0  0.39  1.0

La Zr Ga
La Zr Ga 0 2 o o o 0 1 o o o 