data_BaCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   42.33
_cell_angle_beta   42.33
_cell_angle_gamma   42.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCo2Pb
_chemical_formula_sum   'Ba1 Co2 Pb1'
_cell_volume   97.63
_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
  Ba  Ba0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.86  1.0
  Co  Co2  1  0.0  0.0  0.04  1.0
  Pb  Pb3  1  0.0  0.0  0.45  1.0

data_BaCo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.75
_cell_length_b   4.47
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   114.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCo2Pb
_chemical_formula_sum   'Ba2 Co4 Pb2'
_cell_volume   195.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.04  1.0
  Co  Co2  2  0.0  0.0  0.86  1.0
  Pb  Pb3  2  0.0  0.0  0.45  1.0

Ba Co Co Pb
Ba Co Co Pb 0 2 o o o 0 1 o o - 0 3 o o o 1 3 o o o 2 3 o o o 