data_K4V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.02
_cell_angle_alpha   101.6
_cell_angle_beta   101.6
_cell_angle_gamma   60.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4V2O7
_chemical_formula_sum   'K4 V2 O7'
_cell_volume   207.97
_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  0.02  0.0  0.99  1.0
  K  K1  1  0.55  0.0  0.84  1.0
  K  K2  1  0.1  0.0  0.0  1.0
  K  K3  1  0.29  0.0  0.41  1.0
  V  V11  1  0.14  0.0  0.42  1.0
  V  V12  1  0.43  0.0  0.41  1.0
  O  O4  1  0.79  0.0  0.99  1.0
  O  O5  1  0.78  0.0  0.84  1.0
  O  O6  1  0.86  0.6  0.32  1.0
  O  O7  1  0.72  0.6  0.51  1.0
  O  O8  1  0.72  0.4  0.51  1.0
  O  O9  1  0.86  0.4  0.32  1.0
  O  O10  1  0.0  0.0  0.0  1.0

data_K4V2O7
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   7.02
_cell_angle_alpha   78.4
_cell_angle_beta   78.4
_cell_angle_gamma   60.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4V2O7
_chemical_formula_sum   'K4 V2 O7'
_cell_volume   207.97
_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  0.45  0.0  0.84  1.0
  K  K1  1  0.71  0.0  0.41  1.0
  K  K2  1  0.9  0.0  0.0  1.0
  K  K3  1  0.98  0.0  0.99  1.0
  V  V4  1  0.57  0.0  0.41  1.0
  V  V5  1  0.86  0.0  0.42  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.14  0.4  0.32  1.0
  O  O8  1  0.14  0.6  0.32  1.0
  O  O9  1  0.21  0.0  0.99  1.0
  O  O10  1  0.22  0.0  0.84  1.0
  O  O11  1  0.28  0.4  0.51  1.0
  O  O12  1  0.28  0.6  0.51  1.0

K K K K V V O O O O O O O
K K K K V V O O O O O O O 0 12 o o + 0 2 o o + 1 7 o o o 1 6 o o o 3 4 o o o 3 5 o o o 6 7 o o o 6 12 + o + 8 11 o o o 9 10 o o o 