data_KV2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   6.59
_cell_angle_alpha   96.38
_cell_angle_beta   96.38
_cell_angle_gamma   35.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Sb
_chemical_formula_sum   'K1 V2 Sb1'
_cell_volume   101.27
_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  0.0  1.0
  V  V2  1  0.78  0.0  0.07  1.0
  V  V3  1  0.24  0.0  0.48  1.0
  Sb  Sb1  1  0.51  0.0  0.27  1.0

data_KV2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.15
_cell_length_c   6.59
_cell_angle_alpha   96.38
_cell_angle_beta   90.0
_cell_angle_gamma   107.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KV2Sb
_chemical_formula_sum   'K1 V2 Sb1'
_cell_volume   101.27
_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  0.0  1.0
  V  V1  1  0.0  0.22  0.93  1.0
  V  V2  1  0.0  0.76  0.52  1.0
  Sb  Sb3  1  0.0  0.49  0.73  1.0

K V V Sb
K V V Sb 0 1 - o o 1 3 o o o 2 3 o o o 