data_LaGa5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.54
_cell_length_c   14.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGa5
_chemical_formula_sum   'La1 Ga5'
_cell_volume   186.81
_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  La5  1  0.77  0.77  0.46  1.0
  Ga  Ga0  1  0.0  0.0  0.75  1.0
  Ga  Ga1  1  0.0  0.0  0.17  1.0
  Ga  Ga2  1  0.77  0.77  0.5  1.0
  Ga  Ga3  1  0.77  0.77  0.43  1.0
  Ga  Ga4  1  0.0  0.0  0.0  1.0

data_LaGa5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   14.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaGa5
_chemical_formula_sum   'La2 Ga10'
_cell_volume   373.62
_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  0.27  0.5  0.46  1.0
  Ga  Ga1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.17  1.0
  Ga  Ga3  2  0.0  0.0  0.75  1.0
  Ga  Ga4  2  0.27  0.5  0.43  1.0
  Ga  Ga5  2  0.27  0.5  0.5  1.0

La Ga Ga Ga Ga Ga
La Ga Ga Ga Ga Ga 0 4 o o o 0 3 o o o 1 3 - - o 1 1 + o o 1 1 o + o 1 5 o o + 2 5 o o o 