data_K2TlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   4.97
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlNi
_chemical_formula_sum   'K2 Tl1 Ni1'
_cell_volume   127.09
_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  0.87  0.49  0.26  1.0
  K  K1  1  0.87  0.49  0.57  1.0
  Tl  Tl3  1  0.0  0.0  0.42  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_K2TlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.97
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlNi
_chemical_formula_sum   'K2 Tl1 Ni1'
_cell_volume   127.09
_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  0.87  0.49  0.26  1.0
  K  K1  1  0.87  0.49  0.57  1.0
  Tl  Tl2  1  0.0  0.0  0.42  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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