data_MgTaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   138.06
_cell_angle_beta   138.06
_cell_angle_gamma   60.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaPb2
_chemical_formula_sum   'Mg1 Ta1 Pb2'
_cell_volume   92.11
_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  0.0  1.0
  Ta  Ta3  1  0.0  0.12  0.56  1.0
  Pb  Pb1  1  0.12  0.0  0.56  1.0
  Pb  Pb2  1  0.0  0.0  0.11  1.0

data_MgTaPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.93
_cell_angle_alpha   110.97
_cell_angle_beta   110.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaPb2
_chemical_formula_sum   'Mg1 Ta1 Pb2'
_cell_volume   92.11
_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  0.0  1.0
  Ta  Ta1  1  0.57  0.12  0.57  1.0
  Pb  Pb2  1  0.44  0.0  0.57  1.0
  Pb  Pb3  1  0.89  0.0  0.89  1.0

Mg Ta Pb Pb