data_KMnV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   154.75
_cell_angle_beta   143.86
_cell_angle_gamma   44.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnV2
_chemical_formula_sum   'K1 Mn1 V2'
_cell_volume   78.11
_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  0.0  0.58  1.0
  Mn  Mn1  1  0.48  0.0  0.88  1.0
  V  V2  1  0.0  0.0  0.34  1.0
  V  V3  1  0.0  0.1  0.75  1.0

data_KMnV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.2
_cell_length_c   6.78
_cell_angle_alpha   108.07
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnV2
_chemical_formula_sum   'K1 Mn1 V2'
_cell_volume   78.11
_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  0.58  0.58  1.0
  Mn  Mn1  1  0.0  0.88  0.4  1.0
  V  V2  1  0.0  0.34  0.34  1.0
  V  V3  1  0.9  0.65  0.65  1.0

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