data_Zn2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   133.46
_cell_angle_beta   133.46
_cell_angle_gamma   67.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2RuPb
_chemical_formula_sum   'Zn2 Ru1 Pb1'
_cell_volume   67.89
_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
  Zn  Zn2  1  0.0  0.01  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.21  1.0
  Pb  Pb0  1  0.01  0.0  0.11  1.0

data_Zn2RuPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   123.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2RuPb
_chemical_formula_sum   'Zn4 Ru2 Pb2'
_cell_volume   135.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Zn  Zn1  2  0.5  0.5  0.1  1.0
  Ru  Ru2  2  0.0  0.0  0.21  1.0
  Pb  Pb3  2  0.5  0.5  0.1  1.0

Zn Zn Ru Pb
Zn Zn Ru Pb 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 2 3 o o o 