data_CaCrPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   3.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrPb2
_chemical_formula_sum   'Ca1 Cr1 Pb2'
_cell_volume   105.64
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.38  0.0  0.0  1.0
  Pb  Pb2  1  0.69  0.79  0.77  1.0
  Pb  Pb3  1  0.69  0.21  0.77  1.0

data_CaCrPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   105.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCrPb2
_chemical_formula_sum   'Ca1 Cr1 Pb2'
_cell_volume   105.64
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.38  0.0  1.0
  Pb  Pb2  1  0.77  0.69  0.21  1.0
  Pb  Pb3  1  0.77  0.69  0.79  1.0

Ca Cr Pb Pb