data_LaSc2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.63
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   92.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Pt
_chemical_formula_sum   'La1 Sc2 Pt1'
_cell_volume   98.05
_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  0.41  0.0  0.54  1.0
  Sc  Sc2  1  0.05  0.0  0.32  1.0
  Sc  Sc3  1  0.59  0.81  0.84  1.0
  Pt  Pt1  1  0.84  0.81  0.4  1.0

data_LaSc2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.65
_cell_length_c   7.41
_cell_angle_alpha   92.12
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Pt
_chemical_formula_sum   'La1 Sc2 Pt1'
_cell_volume   98.05
_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  0.59  0.46  1.0
  Sc  Sc1  1  0.0  0.95  0.68  1.0
  Sc  Sc2  1  0.19  0.41  0.16  1.0
  Pt  Pt3  1  0.19  0.16  0.6  1.0

La Sc Sc Pt