data_K2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   5.05
_cell_angle_alpha   111.21
_cell_angle_beta   111.21
_cell_angle_gamma   31.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlV
_chemical_formula_sum   'K2 Al1 V1'
_cell_volume   110.55
_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  0.19  0.0  0.15  1.0
  K  K2  1  0.86  0.0  0.53  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.53  0.0  0.34  1.0

data_K2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.05
_cell_length_c   6.73
_cell_angle_alpha   111.21
_cell_angle_beta   105.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlV
_chemical_formula_sum   'K2 Al1 V1'
_cell_volume   110.55
_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  0.0  0.15  0.19  1.0
  K  K1  1  0.0  0.53  0.86  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.34  0.53  1.0

K K Al V
K K Al V 0 2 o o o 0 3 o o o 1 3 o o o 1 2 + o + 