data_LaZrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.07
_cell_length_b   11.07
_cell_length_c   11.07
_cell_angle_alpha   17.37
_cell_angle_beta   17.37
_cell_angle_gamma   17.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrSc2
_chemical_formula_sum   'La1 Zr1 Sc2'
_cell_volume   105.63
_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  0.0  0.57  1.0
  Zr  Zr3  1  0.0  0.0  0.51  1.0
  Sc  Sc1  1  0.0  0.0  0.59  1.0
  Sc  Sc2  1  0.0  0.0  0.11  1.0

data_LaZrSc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   11.07
_cell_angle_alpha   90.0
_cell_angle_beta   100.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaZrSc2
_chemical_formula_sum   'La2 Zr2 Sc4'
_cell_volume   211.26
_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  0.43  1.0
  Zr  Zr1  2  0.0  0.0  0.49  1.0
  Sc  Sc2  2  0.0  0.0  0.41  1.0
  Sc  Sc3  2  0.0  0.0  0.89  1.0

La Zr Sc Sc