data_Ba2VSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   4.8
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VSn
_chemical_formula_sum   'Ba2 V1 Sn1'
_cell_volume   145.68
_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  0.9  0.4  0.98  1.0
  Ba  Ba1  1  0.89  0.4  0.77  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.93  0.0  0.87  1.0

data_Ba2VSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.92
_cell_length_b   4.8
_cell_length_c   7.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VSn
_chemical_formula_sum   'Ba2 V1 Sn1'
_cell_volume   145.68
_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  0.89  0.4  0.77  1.0
  Ba  Ba1  1  0.9  0.4  0.98  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.93  0.0  0.87  1.0

Ba Ba V Sn
Ba Ba V Sn 0 1 o o o 0 3 o o o 0 2 + o + 2 3 - o - 