data_Mg2VZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74
_cell_length_b   9.74
_cell_length_c   9.74
_cell_angle_alpha   17.07
_cell_angle_beta   17.07
_cell_angle_gamma   17.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2VZn
_chemical_formula_sum   'Mg2 V1 Zn1'
_cell_volume   69.38
_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  0.58  1.0
  Mg  Mg1  1  0.0  0.0  0.2  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.39  1.0

data_Mg2VZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.01
_cell_length_b   2.89
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2VZn
_chemical_formula_sum   'Mg4 V2 Zn2'
_cell_volume   138.77
_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  0.42  1.0
  Mg  Mg1  2  0.0  0.0  0.8  1.0
  V  V2  2  0.0  0.0  0.0  1.0
  Zn  Zn3  2  0.0  0.0  0.61  1.0

Mg Mg V Zn