data_MnCo2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42
_cell_length_b   8.42
_cell_length_c   8.42
_cell_angle_alpha   19.11
_cell_angle_beta   19.11
_cell_angle_gamma   19.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Hg
_chemical_formula_sum   'Mn1 Co2 Hg1'
_cell_volume   55.96
_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  Mn3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.47  1.0
  Co  Co1  1  0.0  0.0  0.32  1.0
  Hg  Hg2  1  0.0  0.0  0.4  1.0

data_MnCo2Hg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.84
_cell_length_b   2.8
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   101.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCo2Hg
_chemical_formula_sum   'Mn2 Co4 Hg2'
_cell_volume   111.91
_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  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.53  1.0
  Co  Co2  2  0.0  0.0  0.68  1.0
  Hg  Hg3  2  0.0  0.0  0.6  1.0

Mn Co Co Hg