data_LaScZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.03
_cell_angle_alpha   113.62
_cell_angle_beta   113.62
_cell_angle_gamma   34.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScZn2
_chemical_formula_sum   'La1 Sc1 Zn2'
_cell_volume   89.97
_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  0.74  0.0  0.38  1.0
  Sc  Sc1  1  0.82  0.0  0.02  1.0
  Zn  Zn2  1  0.91  0.0  0.49  1.0
  Zn  Zn3  1  0.57  0.0  0.52  1.0

data_LaScZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.03
_cell_length_c   5.93
_cell_angle_alpha   113.62
_cell_angle_beta   107.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaScZn2
_chemical_formula_sum   'La1 Sc1 Zn2'
_cell_volume   89.97
_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  0.38  0.74  1.0
  Sc  Sc1  1  0.0  0.02  0.82  1.0
  Zn  Zn2  1  0.0  0.49  0.91  1.0
  Zn  Zn3  1  0.0  0.52  0.57  1.0

La Sc Zn Zn