data_LaIr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91
_cell_length_b   9.91
_cell_length_c   9.91
_cell_angle_alpha   16.79
_cell_angle_beta   16.79
_cell_angle_gamma   16.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIr2Pt
_chemical_formula_sum   'La1 Ir2 Pt1'
_cell_volume   70.93
_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  La2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.07  1.0
  Ir  Ir1  1  0.0  0.0  0.24  1.0
  Pt  Pt3  1  0.0  0.0  0.66  1.0

data_LaIr2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.9
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaIr2Pt
_chemical_formula_sum   'La2 Ir4 Pt2'
_cell_volume   141.85
_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  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.76  1.0
  Ir  Ir2  2  0.0  0.0  0.93  1.0
  Pt  Pt3  2  0.0  0.0  0.34  1.0

La Ir Ir Pt
La Ir Ir Pt 0 1 o o o 0 3 o o - 1 2 o o o 3 3 o + - 3 3 + - o 3 3 + o - 