data_YPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   4.48
_cell_angle_alpha   100.62
_cell_angle_beta   100.62
_cell_angle_gamma   39.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPt2Br
_chemical_formula_sum   'Y1 Pt2 Br1'
_cell_volume   80.3
_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  0.61  0.0  0.2  1.0
  Pt  Pt1  1  0.49  0.0  0.17  1.0
  Pt  Pt2  1  0.73  0.0  0.22  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_YPt2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.48
_cell_length_c   5.37
_cell_angle_alpha   100.62
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPt2Br
_chemical_formula_sum   'Y1 Pt2 Br1'
_cell_volume   80.3
_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  0.2  0.61  1.0
  Pt  Pt1  1  0.0  0.17  0.49  1.0
  Pt  Pt2  1  0.0  0.22  0.73  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Pt Pt Br