data_LaGa2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.2
_cell_length_c   5.85
_cell_angle_alpha   109.55
_cell_angle_beta   109.55
_cell_angle_gamma   57.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Fe
_chemical_formula_sum   'La1 Ga2 Fe1'
_cell_volume   80.61
_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  0.56  0.0  0.71  1.0
  Ga  Ga1  1  0.2  0.0  0.77  1.0
  Ga  Ga2  1  0.92  0.0  0.64  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0

data_LaGa2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.2
_cell_length_c   5.85
_cell_angle_alpha   109.55
_cell_angle_beta   90.0
_cell_angle_gamma   118.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa2Fe
_chemical_formula_sum   'La1 Ga2 Fe1'
_cell_volume   80.61
_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  0.44  0.29  1.0
  Ga  Ga1  1  0.0  0.08  0.36  1.0
  Ga  Ga2  1  0.0  0.8  0.23  1.0
  Fe  Fe3  1  0.0  0.0  0.0  1.0

La Ga Ga Fe