data_LiMn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   133.83
_cell_angle_beta   133.83
_cell_angle_gamma   67.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn2Hg
_chemical_formula_sum   'Li1 Mn2 Hg1'
_cell_volume   64.25
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.96  0.0  0.08  1.0
  Mn  Mn3  1  0.0  0.96  0.08  1.0
  Hg  Hg0  1  0.0  0.0  0.17  1.0

data_LiMn2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   123.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiMn2Hg
_chemical_formula_sum   'Li2 Mn4 Hg2'
_cell_volume   128.51
_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
  Li  Li0  2  0.0  0.0  0.0  1.0
  Mn  Mn1  4  0.4  0.48  0.88  1.0
  Hg  Hg2  2  0.33  0.5  0.83  1.0

Li Mn Mn Hg