data_YCr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   3.21
_cell_angle_alpha   105.22
_cell_angle_beta   105.22
_cell_angle_gamma   115.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Hg
_chemical_formula_sum   'Y1 Cr2 Hg1'
_cell_volume   84.88
_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
  Cr  Cr0  1  0.77  0.44  0.4  1.0
  Cr  Cr1  1  0.77  0.56  0.4  1.0
  Hg  Hg2  1  0.11  0.0  0.0  1.0

data_YCr2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.42
_cell_length_c   5.79
_cell_angle_alpha   117.38
_cell_angle_beta   105.22
_cell_angle_gamma   91.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCr2Hg
_chemical_formula_sum   'Y1 Cr2 Hg1'
_cell_volume   84.88
_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
  Cr  Cr1  1  0.84  0.44  0.21  1.0
  Cr  Cr2  1  0.96  0.56  0.33  1.0
  Hg  Hg3  1  0.0  0.0  0.11  1.0

Y Cr Cr Hg
Y Cr Cr Hg 0 3 o o o 1 2 o o o 