data_LaSc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05
_cell_length_b   6.05
_cell_length_c   6.05
_cell_angle_alpha   144.8
_cell_angle_beta   130.63
_cell_angle_gamma   62.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Pt
_chemical_formula_sum   'La1 Sc2 Pt1'
_cell_volume   95.84
_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  0.56  1.0
  Sc  Sc2  1  0.0  0.0  0.86  1.0
  Sc  Sc3  1  0.83  0.0  0.58  1.0
  Pt  Pt1  1  0.0  0.53  0.73  1.0

data_LaSc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.05
_cell_length_c   6.05
_cell_angle_alpha   114.69
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Pt
_chemical_formula_sum   'La1 Sc2 Pt1'
_cell_volume   95.84
_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  0.56  0.56  1.0
  Sc  Sc1  1  0.0  0.58  0.75  1.0
  Sc  Sc2  1  0.0  0.86  0.86  1.0
  Pt  Pt3  1  0.47  0.21  0.21  1.0

La Sc Sc Pt
La Sc Sc Pt 0 2 - o o 0 3 o o o 1 2 - o o 1 3 o - o 