data_BaHg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   125.54
_cell_angle_beta   113.1
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2Rh
_chemical_formula_sum   'Ba1 Hg2 Rh1'
_cell_volume   105.98
_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
  Ba  Ba0  1  0.43  0.0  0.92  1.0
  Hg  Hg1  1  0.0  0.0  0.14  1.0
  Hg  Hg2  1  0.0  0.93  0.65  1.0
  Rh  Rh3  1  0.0  0.0  0.14  1.0

data_BaHg2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.87
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   66.9
_cell_angle_beta   62.77
_cell_angle_gamma   62.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaHg2Rh
_chemical_formula_sum   'Ba1 Hg2 Rh1'
_cell_volume   105.98
_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
  Ba  Ba0  1  0.0  0.57  0.92  1.0
  Hg  Hg1  1  0.0  0.0  0.14  1.0
  Hg  Hg2  1  0.93  -0.0  0.72  1.0
  Rh  Rh3  1  0.0  0.0  0.14  1.0

Ba Hg Hg Rh 0 2 o - o 1 3 o o o 1 2 o - - 2 3 o + + 