data_SrNi2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNi2Hg
_chemical_formula_sum   'Sr1 Ni2 Hg1'
_cell_volume   76.01
_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  0.0  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.67  1.0
  Ni  Ni2  1  0.28  0.0  0.97  1.0
  Hg  Hg0  1  0.28  0.0  0.4  1.0

data_SrNi2Hg
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.27
_cell_length_b   3.27
_cell_length_c   7.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrNi2Hg
_chemical_formula_sum   'Sr1 Ni2 Hg1'
_cell_volume   76.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.67  1.0
  Ni  Ni2  1  0.28  0.0  0.97  1.0
  Hg  Hg3  1  0.28  0.0  0.4  1.0

Sr Ni Ni Hg