data_ZrRu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.81
_cell_angle_alpha   100.63
_cell_angle_beta   100.63
_cell_angle_gamma   34.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Pt
_chemical_formula_sum   'Zr1 Ru2 Pt1'
_cell_volume   64.45
_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
  Zr  Zr3  1  0.2  0.0  0.38  1.0
  Ru  Ru1  1  0.01  0.0  0.12  1.0
  Ru  Ru2  1  0.75  0.0  0.03  1.0
  Pt  Pt0  1  0.68  0.0  0.56  1.0

data_ZrRu2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.81
_cell_length_c   4.9
_cell_angle_alpha   100.63
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrRu2Pt
_chemical_formula_sum   'Zr1 Ru2 Pt1'
_cell_volume   64.45
_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
  Zr  Zr0  1  0.0  0.38  0.2  1.0
  Ru  Ru1  1  0.0  0.03  0.75  1.0
  Ru  Ru2  1  0.0  0.12  0.01  1.0
  Pt  Pt3  1  0.0  0.56  0.68  1.0

Zr Ru Ru Pt
Zr Ru Ru Pt 0 1 o o o 0 3 o o o 0 3 - o o 1 2 - o o 1 3 - o o 1 3 - o - 2 3 o o o 2 3 o o - 3 3 + - o 