data_ZrCrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   146.35
_cell_angle_beta   142.95
_cell_angle_gamma   50.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrPb
_chemical_formula_sum   'Zr1 Cr1 Pb1'
_cell_volume   62.89
_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
  Zr  Zr2  1  0.0  0.0  0.59  1.0
  Cr  Cr0  1  0.0  0.0  0.35  1.0
  Pb  Pb1  1  0.0  0.0  0.8  1.0

data_ZrCrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.65
_cell_length_c   5.74
_cell_angle_alpha   108.53
_cell_angle_beta   106.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrCrPb
_chemical_formula_sum   'Zr1 Cr1 Pb1'
_cell_volume   62.89
_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
  Zr  Zr0  1  0.41  0.41  0.41  1.0
  Cr  Cr1  1  0.65  0.65  0.65  1.0
  Pb  Pb2  1  0.2  0.2  0.2  1.0

Zr Cr Pb
Zr Cr Pb 0 1 o o o 0 2 o o o 