data_Ni2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.13
_cell_angle_alpha   98.08
_cell_angle_beta   98.08
_cell_angle_gamma   41.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgAs
_chemical_formula_sum   'Ni2 Hg1 As1'
_cell_volume   64.11
_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
  Ni  Ni2  1  0.36  0.0  0.8  1.0
  Ni  Ni3  1  0.48  0.0  0.64  1.0
  Hg  Hg1  1  0.91  0.0  0.08  1.0
  As  As0  1  0.82  0.0  0.14  1.0

data_Ni2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.38
_cell_length_c   5.13
_cell_angle_alpha   98.08
_cell_angle_beta   90.0
_cell_angle_gamma   110.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2HgAs
_chemical_formula_sum   'Ni2 Hg1 As1'
_cell_volume   64.11
_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
  Ni  Ni0  1  0.0  0.52  0.36  1.0
  Ni  Ni1  1  0.0  0.64  0.2  1.0
  Hg  Hg2  1  0.0  0.09  0.92  1.0
  As  As3  1  0.0  0.18  0.86  1.0

Ni Ni Hg As