data_La2ScAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   4.03
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScAg
_chemical_formula_sum   'La2 Sc1 Ag1'
_cell_volume   116.35
_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  0.59  0.01  0.59  1.0
  La  La2  1  0.81  0.01  0.98  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.79  0.0  0.78  1.0

data_La2ScAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.03
_cell_length_c   7.58
_cell_angle_alpha   90.0
_cell_angle_beta   93.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScAg
_chemical_formula_sum   'La2 Sc1 Ag1'
_cell_volume   116.35
_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  0.59  0.01  0.59  1.0
  La  La1  1  0.81  0.01  0.98  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.79  0.0  0.78  1.0

La La Sc Ag