data_Ba2VZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   119.05
_cell_angle_beta   119.05
_cell_angle_gamma   91.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VZn
_chemical_formula_sum   'Ba2 V1 Zn1'
_cell_volume   140.5
_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
  Ba  Ba0  1  0.0  0.95  0.02  1.0
  Ba  Ba1  1  0.95  0.0  0.02  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.05  1.0

data_Ba2VZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.09
_cell_length_b   8.33
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   134.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2VZn
_chemical_formula_sum   'Ba4 V2 Zn2'
_cell_volume   280.99
_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
  Ba  Ba0  4  0.45  0.47  0.98  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Zn  Zn2  2  0.45  0.5  0.95  1.0

Ba Ba V Zn
Ba Ba V Zn 0 3 o + o 1 3 + o o 2 3 o o o 