data_YCuPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   3.62
_cell_angle_alpha   91.95
_cell_angle_beta   91.95
_cell_angle_gamma   95.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPt2
_chemical_formula_sum   'Y1 Cu1 Pt2'
_cell_volume   68.2
_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  Y3  1  0.92  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.37  0.61  0.81  1.0
  Pt  Pt2  1  0.37  0.39  0.81  1.0

data_YCuPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   95.62
_cell_angle_beta   91.95
_cell_angle_gamma   91.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuPt2
_chemical_formula_sum   'Y1 Cu1 Pt2'
_cell_volume   68.2
_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  0.92  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.81  0.37  0.39  1.0
  Pt  Pt3  1  0.81  0.37  0.61  1.0

Y Cu Pt Pt