data_LaRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRu2Pt
_chemical_formula_sum   'La1 Ru2 Pt1'
_cell_volume   70.8
_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  0.0  1.0
  Ru  Ru2  1  0.48  0.01  0.5  1.0
  Ru  Ru3  1  0.48  0.99  0.5  1.0
  Pt  Pt1  1  0.97  0.0  0.0  1.0

data_LaRu2Pt
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.96
_cell_length_b   3.0
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   106.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaRu2Pt
_chemical_formula_sum   'La1 Ru2 Pt1'
_cell_volume   70.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Ru  Ru1  1  0.48  0.5  0.01  1.0
  Ru  Ru2  1  0.48  0.5  0.99  1.0
  Pt  Pt3  1  0.97  0.0  0.0  1.0

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