data_KBeRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   154.86
_cell_angle_beta   131.89
_cell_angle_gamma   55.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeRe2
_chemical_formula_sum   'K1 Be1 Re2'
_cell_volume   66.02
_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  0.27  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.29  0.0  0.16  1.0
  Re  Re3  1  0.0  0.42  0.11  1.0

data_KBeRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.84
_cell_length_c   5.94
_cell_angle_alpha   114.06
_cell_angle_beta   102.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeRe2
_chemical_formula_sum   'K1 Be1 Re2'
_cell_volume   66.02
_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  0.73  0.73  0.73  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.13  0.84  0.13  1.0
  Re  Re3  1  0.89  0.31  0.31  1.0

K Be Re Re