data_NaSr2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   10.83
_cell_angle_alpha   100.71
_cell_angle_beta   100.71
_cell_angle_gamma   59.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Hg
_chemical_formula_sum   'Na1 Sr2 Hg1'
_cell_volume   177.89
_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  Na1  1  0.0  0.0  0.0  1.0
  Sr  Sr2  1  0.16  0.0  0.39  1.0
  Sr  Sr3  1  0.24  0.0  0.18  1.0
  Hg  Hg0  1  0.7  0.0  0.29  1.0

data_NaSr2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.36
_cell_length_b   4.43
_cell_length_c   10.83
_cell_angle_alpha   100.71
_cell_angle_beta   90.0
_cell_angle_gamma   119.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSr2Hg
_chemical_formula_sum   'Na1 Sr2 Hg1'
_cell_volume   177.89
_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  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.76  0.82  1.0
  Sr  Sr2  1  0.0  0.84  0.61  1.0
  Hg  Hg3  1  0.0  0.3  0.71  1.0

Na Sr Sr Hg