data_BePbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   137.9
_cell_angle_beta   137.9
_cell_angle_gamma   61.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePbCl2
_chemical_formula_sum   'Be1 Pb1 Cl2'
_cell_volume   94.02
_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  0.0  1.0
  Pb  Pb3  1  0.0  0.14  0.57  1.0
  Cl  Cl1  1  0.14  0.0  0.57  1.0
  Cl  Cl2  1  0.0  0.0  0.13  1.0

data_BePbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.96
_cell_angle_alpha   111.05
_cell_angle_beta   111.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BePbCl2
_chemical_formula_sum   'Be1 Pb1 Cl2'
_cell_volume   94.02
_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  0.0  1.0
  Pb  Pb1  1  0.43  0.57  0.43  1.0
  Cl  Cl2  1  0.13  0.13  0.13  1.0
  Cl  Cl3  1  0.57  0.43  0.43  1.0

Be Pb Cl Cl
Be Pb Cl Cl 0 3 o o o 1 2 o o o 