data_YHg2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   146.43
_cell_angle_beta   128.49
_cell_angle_gamma   62.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg2Mo
_chemical_formula_sum   'Y1 Hg2 Mo1'
_cell_volume   86.9
_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
  Hg  Hg0  1  0.7  0.0  0.07  1.0
  Hg  Hg1  1  0.0  0.0  0.62  1.0
  Mo  Mo2  1  0.7  0.0  0.95  1.0

data_YHg2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.11
_cell_length_c   5.88
_cell_angle_alpha   115.76
_cell_angle_beta   106.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHg2Mo
_chemical_formula_sum   'Y1 Hg2 Mo1'
_cell_volume   86.9
_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  0.4  0.4  1.0
  Hg  Hg1  1  0.0  0.07  0.38  1.0
  Hg  Hg2  1  0.0  0.62  0.62  1.0
  Mo  Mo3  1  0.0  0.95  0.26  1.0

Y Hg Hg Mo