data_MgZrPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.24
_cell_length_c   3.26
_cell_angle_alpha   77.47
_cell_angle_beta   76.55
_cell_angle_gamma   25.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrPb
_chemical_formula_sum   'Mg1 Zr1 Pb1'
_cell_volume   72.95
_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  0.26  0.35  0.67  1.0
  Zr  Zr2  1  0.26  0.35  0.63  1.0
  Pb  Pb1  1  0.26  0.35  0.19  1.0

data_MgZrPb
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.26
_cell_length_b   13.75
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   MgZrPb
_chemical_formula_sum   'Mg2 Zr2 Pb2'
_cell_volume   146.0
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.94  1.0
  Zr  Zr1  2  0.0  0.5  0.9  1.0
  Pb  Pb2  2  0.0  0.5  0.45  1.0

Mg Zr Pb