data_La2MgSc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.62
_cell_length_b   6.62
_cell_length_c   6.62
_cell_angle_alpha   146.61
_cell_angle_beta   129.39
_cell_angle_gamma   62.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgSc
_chemical_formula_sum   'La2 Mg1 Sc1'
_cell_volume   121.95
_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  0.27  1.0
  La  La1  1  0.9  0.0  0.98  1.0
  Mg  Mg2  1  0.0  0.0  0.83  1.0
  Sc  Sc3  1  0.0  0.83  0.6  1.0

data_La2MgSc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   5.66
_cell_length_c   6.62
_cell_angle_alpha   115.31
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgSc
_chemical_formula_sum   'La2 Mg1 Sc1'
_cell_volume   121.95
_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  0.27  0.27  1.0
  La  La1  1  0.0  0.98  0.08  1.0
  Mg  Mg2  1  0.0  0.83  0.83  1.0
  Sc  Sc3  1  0.17  0.77  0.77  1.0

La La Mg Sc
La La Mg Sc 0 1 - o - 1 2 + o o 2 3 o - o 