data_LaSi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   5.63
_cell_angle_alpha   108.36
_cell_angle_beta   108.36
_cell_angle_gamma   52.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Ag
_chemical_formula_sum   'La1 Si2 Ag1'
_cell_volume   86.28
_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  La1  1  0.64  0.0  0.26  1.0
  Si  Si2  1  0.18  0.0  0.74  1.0
  Si  Si3  1  0.6  0.0  0.01  1.0
  Ag  Ag0  1  0.11  0.0  0.18  1.0

data_LaSi2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.55
_cell_length_c   5.63
_cell_angle_alpha   108.36
_cell_angle_beta   90.0
_cell_angle_gamma   116.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSi2Ag
_chemical_formula_sum   'La1 Si2 Ag1'
_cell_volume   86.28
_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  La0  1  0.0  0.36  0.74  1.0
  Si  Si1  1  0.0  0.4  0.99  1.0
  Si  Si2  1  0.0  0.82  0.26  1.0
  Ag  Ag3  1  0.0  0.89  0.82  1.0

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