data_YZrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   126.9
_cell_angle_beta   118.2
_cell_angle_gamma   85.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrPt2
_chemical_formula_sum   'Y1 Zr1 Pt2'
_cell_volume   77.25
_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
  Y  Y2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.56  1.0
  Pt  Pt0  1  0.17  0.0  0.78  1.0
  Pt  Pt1  1  0.0  0.5  0.78  1.0

data_YZrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   61.8
_cell_angle_beta   63.45
_cell_angle_gamma   63.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrPt2
_chemical_formula_sum   'Y1 Zr1 Pt2'
_cell_volume   77.25
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.0  0.0  0.56  1.0
  Pt  Pt2  1  0.0  0.83  0.78  1.0
  Pt  Pt3  1  0.5  0.0  0.28  1.0

Y Zr Pt Pt
Y Zr Pt Pt 0 3 o - - 0 2 o o - 1 2 o o o 1 3 o o o 