data_AlCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.08
_cell_angle_alpha   99.5
_cell_angle_beta   99.5
_cell_angle_gamma   34.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoHg2
_chemical_formula_sum   'Al1 Co1 Hg2'
_cell_volume   72.25
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.4  0.0  0.5  1.0
  Hg  Hg2  1  0.04  0.0  0.26  1.0
  Hg  Hg3  1  0.76  0.0  0.75  1.0

data_AlCoHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   5.06
_cell_length_c   5.08
_cell_angle_alpha   99.5
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCoHg2
_chemical_formula_sum   'Al1 Co1 Hg2'
_cell_volume   72.25
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.6  0.5  1.0
  Hg  Hg2  1  0.0  0.24  0.25  1.0
  Hg  Hg3  1  0.0  0.96  0.74  1.0

Al Co Hg Hg