data_BaVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   39.34
_cell_angle_beta   39.34
_cell_angle_gamma   39.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaVNi2
_chemical_formula_sum   'Ba1 V1 Ni2'
_cell_volume   85.39
_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  0.0  0.54  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.78  1.0
  Ni  Ni2  1  0.0  0.0  0.31  1.0

data_BaVNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   4.16
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   112.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaVNi2
_chemical_formula_sum   'Ba2 V2 Ni4'
_cell_volume   170.77
_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
  Ba  Ba0  2  0.0  0.0  0.46  1.0
  V  V1  2  0.0  0.0  0.0  1.0
  Ni  Ni2  2  0.0  0.0  0.22  1.0
  Ni  Ni3  2  0.0  0.0  0.69  1.0

Ba V Ni Ni