data_KVGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVGa2
_chemical_formula_sum   'K1 V1 Ga2'
_cell_volume   83.36
_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  K2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.74  1.0
  Ga  Ga0  1  0.42  0.96  0.02  1.0
  Ga  Ga1  1  0.42  0.96  0.47  1.0

data_KVGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KVGa2
_chemical_formula_sum   'K1 V1 Ga2'
_cell_volume   83.36
_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  0.0  0.74  1.0
  Ga  Ga2  1  0.42  0.96  0.02  1.0
  Ga  Ga3  1  0.42  0.96  0.47  1.0

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