data_NaLa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.28
_cell_length_b   11.28
_cell_length_c   11.28
_cell_angle_alpha   19.37
_cell_angle_beta   19.37
_cell_angle_gamma   19.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Ga
_chemical_formula_sum   'Na1 La2 Ga1'
_cell_volume   137.9
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.5  1.0
  La  La2  1  0.0  0.0  0.69  1.0
  Ga  Ga0  1  0.0  0.0  0.59  1.0

data_NaLa2Ga
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   3.79
_cell_length_c   11.28
_cell_angle_alpha   90.0
_cell_angle_beta   101.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLa2Ga
_chemical_formula_sum   'Na2 La4 Ga2'
_cell_volume   275.8
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  La  La1  2  0.0  0.0  0.31  1.0
  La  La2  2  0.0  0.0  0.5  1.0
  Ga  Ga3  2  0.0  0.0  0.41  1.0

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