data_YPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   4.53
_cell_angle_alpha   91.68
_cell_angle_beta   91.68
_cell_angle_gamma   31.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPtBr2
_chemical_formula_sum   'Y1 Pt1 Br2'
_cell_volume   114.57
_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  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.66  0.0  0.27  1.0
  Br  Br0  1  0.81  0.0  0.99  1.0
  Br  Br1  1  0.51  0.0  0.54  1.0

data_YPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.53
_cell_length_c   6.98
_cell_angle_alpha   91.68
_cell_angle_beta   105.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPtBr2
_chemical_formula_sum   'Y1 Pt1 Br2'
_cell_volume   114.57
_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
  Pt  Pt1  1  0.0  0.27  0.66  1.0
  Br  Br2  1  0.0  0.54  0.51  1.0
  Br  Br3  1  0.0  0.99  0.81  1.0

Y Pt Br Br