data_YInHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   4.96
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInHg2
_chemical_formula_sum   'Y1 In1 Hg2'
_cell_volume   101.96
_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  0.33  0.0  0.46  1.0
  In  In2  1  0.81  0.48  0.94  1.0
  Hg  Hg0  1  0.52  0.48  0.87  1.0
  Hg  Hg1  1  0.44  0.0  0.47  1.0

data_YInHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.96
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   96.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YInHg2
_chemical_formula_sum   'Y1 In1 Hg2'
_cell_volume   101.96
_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  0.33  0.0  0.46  1.0
  In  In1  1  0.81  0.48  0.94  1.0
  Hg  Hg2  1  0.44  0.0  0.47  1.0
  Hg  Hg3  1  0.52  0.48  0.87  1.0

Y In Hg Hg
Y In Hg Hg 0 3 o o o 1 2 o o o 