data_La2FeAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   38.22
_cell_angle_beta   38.22
_cell_angle_gamma   38.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2FeAg
_chemical_formula_sum   'La2 Fe1 Ag1'
_cell_volume   102.02
_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  La2  1  0.0  0.0  0.62  1.0
  La  La3  1  0.0  0.0  0.74  1.0
  Fe  Fe1  1  0.0  0.0  0.35  1.0
  Ag  Ag0  1  0.0  0.0  0.6  1.0

data_La2FeAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.56
_cell_length_b   4.37
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   112.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2FeAg
_chemical_formula_sum   'La4 Fe2 Ag2'
_cell_volume   204.03
_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  0.38  1.0
  La  La1  2  -0.0  0.0  0.26  1.0
  Fe  Fe2  2  0.0  0.0  0.65  1.0
  Ag  Ag3  2  -0.0  0.0  0.4  1.0

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