data_K2BaV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.06
_cell_length_b   14.06
_cell_length_c   14.06
_cell_angle_alpha   16.19
_cell_angle_beta   16.19
_cell_angle_gamma   16.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BaV
_chemical_formula_sum   'K2 Ba1 V1'
_cell_volume   188.54
_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
  K  K1  1  0.0  0.0  0.0  1.0
  K  K2  1  0.0  0.0  0.63  1.0
  Ba  Ba0  1  0.0  0.0  0.81  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_K2BaV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.86
_cell_length_b   3.96
_cell_length_c   14.06
_cell_angle_alpha   90.0
_cell_angle_beta   99.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2BaV
_chemical_formula_sum   'K4 Ba2 V2'
_cell_volume   377.09
_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
  K  K0  2  -0.0  0.0  1.0  1.0
  K  K1  2  -0.0  0.0  0.37  1.0
  Ba  Ba2  2  -0.0  0.0  0.19  1.0
  V  V3  2  0.0  0.0  0.0  1.0
