data_YPtBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.41
_cell_length_b   7.41
_cell_length_c   7.41
_cell_angle_alpha   150.81
_cell_angle_beta   144.01
_cell_angle_gamma   46.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPtBr2
_chemical_formula_sum   'Y1 Pt1 Br2'
_cell_volume   116.11
_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  0.0  0.0  0.79  1.0
  Br  Br0  1  0.0  0.29  0.65  1.0
  Br  Br1  1  0.87  0.0  0.14  1.0

data_YPtBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.58
_cell_length_c   7.41
_cell_angle_alpha   107.99
_cell_angle_beta   104.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YPtBr2
_chemical_formula_sum   'Y1 Pt1 Br2'
_cell_volume   116.11
_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  0.21  0.21  0.21  1.0
  Br  Br2  1  0.35  0.64  0.64  1.0
  Br  Br3  1  0.72  0.86  0.72  1.0

Y Pt Br Br