data_YNb2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   4.94
_cell_angle_alpha   107.53
_cell_angle_beta   107.53
_cell_angle_gamma   33.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Hg
_chemical_formula_sum   'Y1 Nb2 Hg1'
_cell_volume   86.57
_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
  Nb  Nb1  1  0.0  0.0  0.28  1.0
  Nb  Nb2  1  0.5  0.0  0.42  1.0
  Hg  Hg0  1  0.75  0.0  0.35  1.0

data_YNb2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.94
_cell_length_c   5.78
_cell_angle_alpha   107.53
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Hg
_chemical_formula_sum   'Y1 Nb2 Hg1'
_cell_volume   86.57
_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
  Nb  Nb1  1  0.0  0.28  0.0  1.0
  Nb  Nb2  1  0.0  0.42  0.5  1.0
  Hg  Hg3  1  0.0  0.35  0.75  1.0

Y Nb Nb Hg