data_LaGaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   149.49
_cell_angle_beta   149.49
_cell_angle_gamma   43.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaFe
_chemical_formula_sum   'La1 Ga1 Fe1'
_cell_volume   57.41
_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  La2  1  0.0  0.0  0.34  1.0
  Ga  Ga1  1  0.0  0.0  0.24  1.0
  Fe  Fe0  1  0.0  0.0  0.95  1.0

data_LaGaFe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   111.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGaFe
_chemical_formula_sum   'La2 Ga2 Fe2'
_cell_volume   114.82
_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  0.34  0.0  0.34  1.0
  Ga  Ga1  2  0.24  0.0  0.24  1.0
  Fe  Fe2  2  0.45  0.5  0.95  1.0

La Ga Fe
La Ga Fe 0 1 o o o 1 2 o o - 