data_Zr2CoHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   34.48
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoHg
_chemical_formula_sum   'Zr2 Co1 Hg1'
_cell_volume   78.16
_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
  Zr  Zr2  1  0.0  0.0  0.96  1.0
  Zr  Zr3  1  0.13  0.0  0.49  1.0
  Co  Co0  1  0.0  0.0  0.55  1.0
  Hg  Hg1  1  0.13  0.0  0.43  1.0

data_Zr2CoHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.25
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   107.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoHg
_chemical_formula_sum   'Zr2 Co1 Hg1'
_cell_volume   78.16
_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
  Zr  Zr0  1  0.04  0.0  0.04  1.0
  Zr  Zr1  1  0.51  0.13  0.51  1.0
  Co  Co2  1  0.45  0.0  0.45  1.0
  Hg  Hg3  1  0.57  0.13  0.57  1.0

Zr Zr Co Hg