data_KBaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   147.56
_cell_angle_beta   129.25
_cell_angle_gamma   61.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaRe2
_chemical_formula_sum   'K1 Ba1 Re2'
_cell_volume   124.82
_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  K1  1  0.0  0.0  0.94  1.0
  Ba  Ba0  1  0.88  0.0  0.62  1.0
  Re  Re2  1  0.88  0.0  0.68  1.0
  Re  Re3  1  0.0  0.0  0.08  1.0

data_KBaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.76
_cell_length_c   6.72
_cell_angle_alpha   115.37
_cell_angle_beta   106.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaRe2
_chemical_formula_sum   'K1 Ba1 Re2'
_cell_volume   124.82
_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  0.94  0.94  1.0
  Ba  Ba1  1  0.0  0.62  0.75  1.0
  Re  Re2  1  0.0  0.08  0.08  1.0
  Re  Re3  1  0.0  0.68  0.8  1.0

K Ba Re Re