data_YZnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   45.78
_cell_angle_beta   45.78
_cell_angle_gamma   45.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnPt2
_chemical_formula_sum   'Y1 Zn1 Pt2'
_cell_volume   75.24
_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  0.29  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.13  1.0
  Pt  Pt1  1  0.0  0.0  0.45  1.0

data_YZnPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.32
_cell_length_b   4.23
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   116.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZnPt2
_chemical_formula_sum   'Y2 Zn2 Pt4'
_cell_volume   150.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.29  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  -0.0  0.0  0.13  1.0
  Pt  Pt3  2  -0.0  0.0  0.45  1.0

Y Zn Pt Pt
Y Zn Pt Pt 0 2 o o o 0 3 o o o 1 2 o o o 