data_MgV2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.54
_cell_length_b   9.54
_cell_length_c   9.54
_cell_angle_alpha   16.48
_cell_angle_beta   16.48
_cell_angle_gamma   16.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgV2Zn
_chemical_formula_sum   'Mg1 V2 Zn1'
_cell_volume   60.97
_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  0.0  0.0  0.96  1.0
  V  V2  1  0.0  0.0  0.27  1.0
  Zn  Zn3  1  0.0  0.0  0.11  1.0

data_MgV2Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.74
_cell_length_b   2.74
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   99.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgV2Zn
_chemical_formula_sum   'Mg2 V4 Zn2'
_cell_volume   121.93
_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
  V  V1  2  0.0  0.0  0.04  1.0
  V  V2  2  0.0  0.0  0.73  1.0
  Zn  Zn3  2  0.0  0.0  0.89  1.0

Mg V V Zn