data_SrCaHg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   138.76
_cell_angle_beta   138.76
_cell_angle_gamma   59.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaHg2
_chemical_formula_sum   'Sr1 Ca1 Hg2'
_cell_volume   125.62
_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  0.34  0.88  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hg  Hg1  1  0.34  0.0  0.88  1.0
  Hg  Hg2  1  0.0  0.0  0.75  1.0

data_SrCaHg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   6.63
_cell_angle_alpha   110.62
_cell_angle_beta   110.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaHg2
_chemical_formula_sum   'Sr1 Ca1 Hg2'
_cell_volume   125.62
_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  0.46  0.34  0.46  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.12  0.0  0.46  1.0
  Hg  Hg3  1  0.25  0.0  0.25  1.0

Sr Ca Hg Hg
Sr Ca Hg Hg 0 3 o o o 1 3 o o - 2 3 o o o 