data_MgTaPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.45
_cell_length_b   11.45
_cell_length_c   11.45
_cell_angle_alpha   16.11
_cell_angle_beta   16.11
_cell_angle_gamma   16.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTaPb2
_chemical_formula_sum   'Mg1 Ta1 Pb2'
_cell_volume   100.81
_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  0.0  0.95  1.0
  Pb  Pb1  1  0.0  0.0  0.69  1.0
  Pb  Pb2  1  0.0  0.0  0.2  1.0

data_MgTaPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   11.45
_cell_angle_alpha   90.0
_cell_angle_beta   99.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgTaPb2
_chemical_formula_sum   'Mg2 Ta2 Pb4'
_cell_volume   201.62
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.05  1.0
  Pb  Pb2  2  0.0  0.0  0.31  1.0
  Pb  Pb3  2  0.0  0.0  0.8  1.0

Mg Ta Pb Pb