data_MgZrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   148.16
_cell_angle_beta   138.36
_cell_angle_gamma   53.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrPb
_chemical_formula_sum   'Mg1 Zr1 Pb1'
_cell_volume   70.82
_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
  Mg  Mg0  1  0.0  0.0  0.02  1.0
  Zr  Zr2  1  0.0  0.0  0.54  1.0
  Pb  Pb1  1  0.0  0.0  0.94  1.0

data_MgZrPb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.18
_cell_length_c   5.88
_cell_angle_alpha   110.82
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrPb
_chemical_formula_sum   'Mg1 Zr1 Pb1'
_cell_volume   70.82
_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
  Mg  Mg0  1  0.98  0.98  0.98  1.0
  Zr  Zr1  1  0.46  0.46  0.46  1.0
  Pb  Pb2  1  0.06  0.06  0.06  1.0

Mg Zr Pb