data_YZr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.01
_cell_angle_alpha   114.89
_cell_angle_beta   114.89
_cell_angle_gamma   35.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Pt
_chemical_formula_sum   'Y1 Zr2 Pt1'
_cell_volume   88.87
_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  Y1  1  0.01  0.0  0.22  1.0
  Zr  Zr2  1  0.91  0.0  0.46  1.0
  Zr  Zr3  1  0.88  0.0  0.24  1.0
  Pt  Pt0  1  0.52  0.0  0.31  1.0

data_YZr2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   5.01
_cell_length_c   5.85
_cell_angle_alpha   114.89
_cell_angle_beta   107.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Pt
_chemical_formula_sum   'Y1 Zr2 Pt1'
_cell_volume   88.87
_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  0.22  0.01  1.0
  Zr  Zr1  1  0.0  0.24  0.88  1.0
  Zr  Zr2  1  0.0  0.46  0.91  1.0
  Pt  Pt3  1  0.0  0.31  0.52  1.0

Y Zr Zr Pt