data_MgVPb2
_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   138.25
_cell_angle_beta   138.25
_cell_angle_gamma   60.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVPb2
_chemical_formula_sum   'Mg1 V1 Pb2'
_cell_volume   88.98
_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
  V  V3  1  0.0  0.09  0.54  1.0
  Pb  Pb1  1  0.09  0.0  0.54  1.0
  Pb  Pb2  1  0.0  0.0  0.07  1.0

data_MgVPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.88
_cell_angle_alpha   110.88
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgVPb2
_chemical_formula_sum   'Mg1 V1 Pb2'
_cell_volume   88.98
_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
  V  V1  1  0.56  0.09  0.56  1.0
  Pb  Pb2  1  0.46  0.0  0.56  1.0
  Pb  Pb3  1  0.93  0.0  0.93  1.0

Mg V Pb Pb
Mg V Pb Pb 0 3 o o o 1 2 o o o 