data_K2VBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2VBr
_chemical_formula_sum   'K2 V1 Br1'
_cell_volume   142.49
_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  0.6  0.0  0.83  1.0
  K  K2  1  0.6  0.0  0.78  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.0  0.0  0.8  1.0

data_K2VBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2VBr
_chemical_formula_sum   'K2 V1 Br1'
_cell_volume   142.49
_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  K0  1  0.6  0.0  0.78  1.0
  K  K1  1  0.6  0.0  0.83  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.0  0.8  1.0

K K V Br
K K V Br 0 1 o o o 0 2 + o + 0 3 + o o 1 3 + o o 2 3 o o - 