data_SrCoHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   138.69
_cell_angle_beta   128.52
_cell_angle_gamma   68.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoHg2
_chemical_formula_sum   'Sr1 Co1 Hg2'
_cell_volume   95.99
_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
  Sr  Sr3  1  0.0  0.49  0.16  1.0
  Co  Co0  1  0.0  0.0  0.45  1.0
  Hg  Hg1  1  0.0  0.49  0.4  1.0
  Hg  Hg2  1  0.0  0.0  0.26  1.0

data_SrCoHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.98
_cell_length_c   5.74
_cell_angle_alpha   115.74
_cell_angle_beta   110.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoHg2
_chemical_formula_sum   'Sr1 Co1 Hg2'
_cell_volume   95.99
_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
  Sr  Sr0  1  0.51  0.67  0.67  1.0
  Co  Co1  1  0.0  0.45  0.45  1.0
  Hg  Hg2  1  0.0  0.26  0.26  1.0
  Hg  Hg3  1  0.51  0.91  0.91  1.0

Sr Co Hg Hg
Sr Co Hg Hg 0 2 o o o 1 3 o o o 