data_Zr3Pb5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Pb5
_chemical_formula_sum   'Zr3 Pb5'
_cell_volume   207.93
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  Zr  Zr6  1  0.04  0.0  0.65  1.0
  Zr  Zr7  1  0.78  0.0  0.65  1.0
  Pb  Pb0  1  0.41  0.0  0.0  1.0
  Pb  Pb1  1  0.21  0.22  0.0  1.0
  Pb  Pb2  1  0.21  0.78  0.0  1.0
  Pb  Pb3  1  0.41  0.19  0.65  1.0
  Pb  Pb4  1  0.41  0.81  0.65  1.0

data_Zr3Pb5
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.3
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zr3Pb5
_chemical_formula_sum   'Zr3 Pb5'
_cell_volume   207.93
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.65  0.0  0.04  1.0
  Zr  Zr2  1  0.65  0.0  0.78  1.0
  Pb  Pb3  2  0.0  0.22  0.21  1.0
  Pb  Pb4  2  0.65  0.19  0.41  1.0
  Pb  Pb5  1  0.0  0.0  0.41  1.0

Zr Zr Zr Pb Pb Pb Pb Pb