data_BeCo2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.13
_cell_length_b   8.13
_cell_length_c   8.13
_cell_angle_alpha   21.3
_cell_angle_beta   21.3
_cell_angle_gamma   21.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCo2Pb
_chemical_formula_sum   'Be1 Co2 Pb1'
_cell_volume   62.09
_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
  Be  Be0  1  0.0  0.0  0.44  1.0
  Co  Co1  1  0.0  0.0  0.04  1.0
  Co  Co2  1  0.0  0.0  0.33  1.0
  Pb  Pb3  1  0.0  0.0  0.92  1.0

data_BeCo2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeCo2Pb
_chemical_formula_sum   'Be2 Co4 Pb2'
_cell_volume   124.19
_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
  Be  Be0  2  0.0  0.0  0.56  1.0
  Co  Co1  2  0.0  0.0  0.67  1.0
  Co  Co2  2  0.0  0.0  0.96  1.0
  Pb  Pb3  2  0.0  0.0  0.08  1.0

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