data_Y2HgBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.67
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgBr
_chemical_formula_sum   'Y2 Hg1 Br1'
_cell_volume   113.32
_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  0.92  0.84  0.94  1.0
  Y  Y3  1  0.61  0.84  0.33  1.0
  Hg  Hg1  1  0.76  0.0  0.14  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Y2HgBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.73
_cell_length_c   8.28
_cell_angle_alpha   91.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgBr
_chemical_formula_sum   'Y2 Hg1 Br1'
_cell_volume   113.32
_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  0.16  0.08  0.06  1.0
  Y  Y1  1  0.16  0.39  0.67  1.0
  Hg  Hg2  1  0.0  0.24  0.86  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Y Y Hg Br