data_Na2HgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.02
_cell_length_b   6.02
_cell_length_c   6.02
_cell_angle_alpha   142.98
_cell_angle_beta   131.41
_cell_angle_gamma   62.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAs
_chemical_formula_sum   'Na2 Hg1 As1'
_cell_volume   97.38
_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
  Na  Na2  1  0.0  0.0  0.12  1.0
  Na  Na3  1  0.91  0.0  0.8  1.0
  Hg  Hg1  1  0.0  0.48  0.32  1.0
  As  As0  1  0.0  0.0  0.33  1.0

data_Na2HgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.82
_cell_length_b   4.95
_cell_length_c   6.02
_cell_angle_alpha   114.3
_cell_angle_beta   108.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2HgAs
_chemical_formula_sum   'Na2 Hg1 As1'
_cell_volume   97.38
_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
  Na  Na0  1  0.11  0.2  0.11  1.0
  Na  Na1  1  0.88  0.88  0.88  1.0
  Hg  Hg2  1  0.68  0.16  0.16  1.0
  As  As3  1  0.67  0.67  0.67  1.0

Na Na Hg As