data_MgPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   144.38
_cell_angle_beta   130.97
_cell_angle_gamma   62.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPbW2
_chemical_formula_sum   'Mg1 Pb1 W2'
_cell_volume   73.46
_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
  Pb  Pb1  1  0.0  0.0  0.74  1.0
  W  W2  1  0.0  0.29  0.36  1.0
  W  W3  1  0.69  0.0  0.38  1.0

data_MgPbW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.59
_cell_length_c   5.53
_cell_angle_alpha   114.51
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPbW2
_chemical_formula_sum   'Mg1 Pb1 W2'
_cell_volume   73.46
_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
  Pb  Pb1  1  0.0  0.74  0.74  1.0
  W  W2  1  0.0  0.38  0.69  1.0
  W  W3  1  0.71  0.06  0.06  1.0

Mg Pb W W
Mg Pb W W 0 2 o o o 0 1 o o - 1 3 - o o 