data_NaMnHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   2.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnHg
_chemical_formula_sum   'Na1 Mn1 Hg1'
_cell_volume   55.94
_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  0.81  1.0
  Mn  Mn1  1  0.0  0.8  0.86  1.0
  Hg  Hg0  1  0.43  0.4  0.07  1.0

data_NaMnHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMnHg
_chemical_formula_sum   'Na1 Mn1 Hg1'
_cell_volume   55.94
_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  0.81  0.0  0.0  1.0
  Mn  Mn1  1  0.86  0.0  0.8  1.0
  Hg  Hg2  1  0.07  0.43  0.4  1.0

Na Mn Hg
Na Mn Hg 0 1 o - o 0 2 o o + 0 2 o o o 1 2 o + + 1 2 - o + 2 2 o o + 