data_LaSc2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   4.31
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Zn
_chemical_formula_sum   'La1 Sc2 Zn1'
_cell_volume   99.6
_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  0.73  0.16  0.86  1.0
  Sc  Sc1  1  0.0  0.0  0.26  1.0
  Sc  Sc2  1  0.73  0.16  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.14  1.0

data_LaSc2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.31
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Zn
_chemical_formula_sum   'La1 Sc2 Zn1'
_cell_volume   99.6
_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  0.73  0.16  0.86  1.0
  Sc  Sc1  1  0.0  0.0  0.26  1.0
  Sc  Sc2  1  0.73  0.16  0.74  1.0
  Zn  Zn3  1  0.0  0.0  0.14  1.0

La Sc Sc Zn
La Sc Sc Zn 0 2 o o o 1 3 o o o 