data_KTaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   7.13
_cell_angle_alpha   96.2
_cell_angle_beta   96.2
_cell_angle_gamma   36.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaRe2
_chemical_formula_sum   'K1 Ta1 Re2'
_cell_volume   101.53
_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  0.76  0.0  0.39  1.0
  Ta  Ta3  1  0.08  0.0  0.7  1.0
  Re  Re1  1  0.15  0.0  0.91  1.0
  Re  Re2  1  0.77  0.0  0.63  1.0

data_KTaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.91
_cell_length_c   7.13
_cell_angle_alpha   96.2
_cell_angle_beta   90.0
_cell_angle_gamma   108.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaRe2
_chemical_formula_sum   'K1 Ta1 Re2'
_cell_volume   101.53
_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  0.24  0.61  1.0
  Ta  Ta1  1  0.0  0.92  0.3  1.0
  Re  Re2  1  0.0  0.23  0.37  1.0
  Re  Re3  1  0.0  0.85  0.09  1.0

K Ta Re Re