data_AlCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   134.27
_cell_angle_beta   134.27
_cell_angle_gamma   66.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoHg2
_chemical_formula_sum   'Al1 Co1 Hg2'
_cell_volume   68.2
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.99  0.0  0.14  1.0
  Hg  Hg2  1  0.0  0.0  0.29  1.0
  Hg  Hg3  1  0.0  0.99  0.14  1.0

data_AlCoHg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   123.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCoHg2
_chemical_formula_sum   'Al2 Co2 Hg4'
_cell_volume   136.4
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.35  0.5  0.85  1.0
  Hg  Hg2  2  0.21  0.5  0.71  1.0
  Hg  Hg3  2  0.35  0.5  0.85  1.0

Al Co Hg Hg