data_Zn2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrPb
_chemical_formula_sum   'Zn2 Cr1 Pb1'
_cell_volume   69.53
_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  0.36  0.91  0.53  1.0
  Zn  Zn3  1  0.36  0.09  0.53  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.72  0.0  0.0  1.0

data_Zn2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   113.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2CrPb
_chemical_formula_sum   'Zn2 Cr1 Pb1'
_cell_volume   69.53
_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  Zn0  1  0.53  0.36  0.09  1.0
  Zn  Zn1  1  0.53  0.36  0.91  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.0  0.72  0.0  1.0

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