data_ZrIn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.82
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   33.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Pb
_chemical_formula_sum   'Zr1 In2 Pb1'
_cell_volume   108.93
_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  Zr3  1  0.07  0.0  0.3  1.0
  In  In0  1  0.25  0.0  0.73  1.0
  In  In1  1  0.19  0.0  0.43  1.0
  Pb  Pb2  1  0.13  0.0  0.88  1.0

data_ZrIn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.82
_cell_length_c   5.87
_cell_angle_alpha   99.45
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIn2Pb
_chemical_formula_sum   'Zr1 In2 Pb1'
_cell_volume   108.93
_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  Zr0  1  0.0  0.3  0.07  1.0
  In  In1  1  0.0  0.43  0.19  1.0
  In  In2  1  0.0  0.73  0.25  1.0
  Pb  Pb3  1  0.0  0.88  0.13  1.0

Zr In In Pb