data_KTlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   149.0
_cell_angle_beta   147.08
_cell_angle_gamma   45.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlNi
_chemical_formula_sum   'K1 Tl1 Ni1'
_cell_volume   82.34
_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
  Tl  Tl2  1  0.0  0.0  0.99  1.0
  Ni  Ni1  1  0.0  0.0  0.27  1.0

data_KTlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.77
_cell_length_c   6.66
_cell_angle_alpha   106.46
_cell_angle_beta   105.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlNi
_chemical_formula_sum   'K1 Tl1 Ni1'
_cell_volume   82.34
_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
  Tl  Tl1  1  0.0  0.99  0.99  1.0
  Ni  Ni2  1  0.0  0.27  0.27  1.0

K Tl Ni