data_BeCr2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   3.07
_cell_angle_alpha   90.88
_cell_angle_beta   90.88
_cell_angle_gamma   103.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Pb
_chemical_formula_sum   'Be1 Cr2 Pb1'
_cell_volume   64.69
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.41  0.82  0.54  1.0
  Cr  Cr2  1  0.41  0.18  0.54  1.0
  Pb  Pb3  1  0.89  0.0  0.0  1.0

data_BeCr2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   4.65
_cell_length_c   4.65
_cell_angle_alpha   103.09
_cell_angle_beta   90.88
_cell_angle_gamma   90.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCr2Pb
_chemical_formula_sum   'Be1 Cr2 Pb1'
_cell_volume   64.69
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.54  0.41  0.18  1.0
  Cr  Cr2  1  0.54  0.41  0.82  1.0
  Pb  Pb3  1  0.0  0.89  0.0  1.0

Be Cr Cr Pb
Be Cr Cr Pb 0 3 - o o 1 2 o + o 