data_YCu2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   48.4
_cell_angle_beta   48.4
_cell_angle_gamma   48.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCu2Hg
_chemical_formula_sum   'Y1 Cu2 Hg1'
_cell_volume   77.83
_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  0.4  1.0
  Cu  Cu0  1  0.0  0.0  0.43  1.0
  Cu  Cu1  1  0.0  0.0  0.01  1.0
  Hg  Hg2  1  0.0  0.0  0.4  1.0

data_YCu2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.57
_cell_length_b   4.37
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   118.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YCu2Hg
_chemical_formula_sum   'Y2 Cu4 Hg2'
_cell_volume   155.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.4  1.0
  Cu  Cu1  2  0.0  0.0  0.43  1.0
  Cu  Cu2  2  0.0  0.0  0.01  1.0
  Hg  Hg3  2  0.0  0.0  0.4  1.0
