data_YHgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   139.72
_cell_angle_beta   139.72
_cell_angle_gamma   58.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgAs2
_chemical_formula_sum   'Y1 Hg1 As2'
_cell_volume   88.76
_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  0.23  1.0
  Hg  Hg2  1  0.06  0.0  0.61  1.0
  As  As0  1  0.0  0.06  0.61  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_YHgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.98
_cell_angle_alpha   110.14
_cell_angle_beta   110.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHgAs2
_chemical_formula_sum   'Y1 Hg1 As2'
_cell_volume   88.76
_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  0.77  0.0  0.77  1.0
  Hg  Hg1  1  0.39  0.0  0.45  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.45  0.06  0.45  1.0

Y Hg As As