data_Na2CrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.19
_cell_angle_alpha   95.75
_cell_angle_beta   95.75
_cell_angle_gamma   34.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrPb
_chemical_formula_sum   'Na2 Cr1 Pb1'
_cell_volume   91.55
_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
  Na  Na1  1  0.07  0.0  0.01  1.0
  Na  Na2  1  0.88  0.0  0.65  1.0
  Cr  Cr0  1  0.16  0.0  0.8  1.0
  Pb  Pb3  1  0.51  0.0  0.77  1.0

data_Na2CrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.1
_cell_length_c   6.19
_cell_angle_alpha   95.75
_cell_angle_beta   90.0
_cell_angle_gamma   107.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CrPb
_chemical_formula_sum   'Na2 Cr1 Pb1'
_cell_volume   91.55
_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
  Na  Na0  1  0.0  0.12  0.35  1.0
  Na  Na1  1  0.0  0.93  0.99  1.0
  Cr  Cr2  1  0.0  0.84  0.2  1.0
  Pb  Pb3  1  0.0  0.49  0.23  1.0

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