data_K2TlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlV
_chemical_formula_sum   'K2 Tl1 V1'
_cell_volume   145.24
_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  0.11  0.0  0.93  1.0
  K  K1  1  0.11  0.0  0.82  1.0
  Tl  Tl2  1  0.0  0.0  0.87  1.0
  V  V3  1  0.0  0.0  0.0  1.0

data_K2TlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlV
_chemical_formula_sum   'K2 Tl1 V1'
_cell_volume   145.24
_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  0.11  0.0  0.82  1.0
  K  K1  1  0.11  0.0  0.93  1.0
  Tl  Tl2  1  0.0  0.0  0.87  1.0
  V  V3  1  0.0  0.0  0.0  1.0

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