data_K2TaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41
_cell_length_b   8.41
_cell_length_c   4.26
_cell_angle_alpha   99.64
_cell_angle_beta   99.64
_cell_angle_gamma   19.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaNi
_chemical_formula_sum   'K2 Ta1 Ni1'
_cell_volume   101.1
_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  0.95  0.0  0.62  1.0
  K  K1  1  0.89  0.0  0.58  1.0
  Ta  Ta3  1  0.92  0.0  0.1  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_K2TaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.26
_cell_length_c   8.41
_cell_angle_alpha   99.64
_cell_angle_beta   99.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TaNi
_chemical_formula_sum   'K2 Ta1 Ni1'
_cell_volume   101.1
_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  0.58  0.89  1.0
  K  K1  1  0.0  0.62  0.95  1.0
  Ta  Ta2  1  0.0  0.1  0.92  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

K K Ta Ni