data_Cr2RuPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuPb
_chemical_formula_sum   'Cr2 Ru1 Pb1'
_cell_volume   62.03
_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
  Cr  Cr0  1  0.06  0.0  0.83  1.0
  Cr  Cr1  1  0.0  0.0  0.61  1.0
  Ru  Ru3  1  0.0  0.0  0.4  1.0
  Pb  Pb2  1  0.06  0.0  0.54  1.0

data_Cr2RuPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2RuPb
_chemical_formula_sum   'Cr2 Ru1 Pb1'
_cell_volume   62.03
_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
  Cr  Cr0  1  0.0  0.0  0.61  1.0
  Cr  Cr1  1  0.06  0.0  0.83  1.0
  Ru  Ru2  1  0.0  0.0  0.4  1.0
  Pb  Pb3  1  0.06  0.0  0.54  1.0

Cr Cr Ru Pb
Cr Cr Ru Pb 0 1 o o o 1 3 o o o 2 3 o o o 