data_LaAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.12
_cell_angle_alpha   108.85
_cell_angle_beta   108.85
_cell_angle_gamma   35.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAg
_chemical_formula_sum   'La2 Ag2'
_cell_volume   108.96
_cell_formula_units_Z   2
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  0.67  0.0  0.58  1.0
  La  La3  1  0.52  0.0  0.24  1.0
  Ag  Ag0  1  0.3  0.0  0.19  1.0
  Ag  Ag1  1  0.89  0.0  0.63  1.0

data_LaAg
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   5.12
_cell_length_c   6.26
_cell_angle_alpha   108.85
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaAg
_chemical_formula_sum   'La2 Ag2'
_cell_volume   108.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.17  0.57  1.0
  Ag  Ag1  2  0.0  0.22  0.8  1.0

La La Ag Ag
La La Ag Ag 0 3 o o o 1 2 o o o 