data_LaAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27
_cell_length_b   10.27
_cell_length_c   10.27
_cell_angle_alpha   17.78
_cell_angle_beta   17.78
_cell_angle_gamma   17.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg3
_chemical_formula_sum   'La1 Ag3'
_cell_volume   88.14
_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  0.0  0.0  0.15  1.0
  Ag  Ag0  1  0.0  0.0  0.84  1.0
  Ag  Ag1  1  0.0  0.0  0.0  1.0
  Ag  Ag2  1  0.0  0.0  0.47  1.0

data_LaAg3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   3.17
_cell_length_c   10.27
_cell_angle_alpha   90.0
_cell_angle_beta   100.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaAg3
_chemical_formula_sum   'La2 Ag6'
_cell_volume   176.27
_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  0.0  0.0  0.85  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.16  1.0
  Ag  Ag3  2  0.0  0.0  0.53  1.0

La Ag Ag Ag
La Ag Ag Ag 0 2 o o o 0 3 o o o 1 2 o o + 3 3 o + - 3 3 + - o 3 3 + o - 