data_Y2HgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.57
_cell_angle_alpha   91.21
_cell_angle_beta   91.21
_cell_angle_gamma   97.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgSe
_chemical_formula_sum   'Y2 Hg1 Se1'
_cell_volume   97.86
_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  0.67  0.02  0.78  1.0
  Y  Y3  1  0.67  0.98  0.78  1.0
  Hg  Hg0  1  0.46  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Y2HgSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   97.65
_cell_angle_beta   91.21
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HgSe
_chemical_formula_sum   'Y2 Hg1 Se1'
_cell_volume   97.86
_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  0.78  0.67  0.02  1.0
  Y  Y1  1  0.78  0.67  0.98  1.0
  Hg  Hg2  1  0.0  0.46  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Y Y Hg Se