data_MnHgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93
_cell_length_b   6.88
_cell_length_c   3.3
_cell_angle_alpha   76.94
_cell_angle_beta   75.36
_cell_angle_gamma   27.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnHgBi
_chemical_formula_sum   'Mn1 Hg1 Bi1'
_cell_volume   70.79
_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
  Mn  Mn2  1  0.27  0.4  0.24  1.0
  Hg  Hg1  1  0.27  0.4  0.03  1.0
  Bi  Bi0  1  0.27  0.4  0.7  1.0

data_MnHgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.53
_cell_length_b   12.99
_cell_length_c   3.3
_cell_angle_alpha   90.0
_cell_angle_beta   133.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnHgBi
_chemical_formula_sum   'Mn2 Hg2 Bi2'
_cell_volume   141.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.4  0.0  0.49  1.0
  Hg  Hg1  2  0.4  0.0  0.7  1.0
  Bi  Bi2  2  0.4  0.0  0.03  1.0

Mn Hg Bi
Mn Hg Bi 0 1 o o o 1 2 o o - 