data_K2BeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   121.01
_cell_angle_beta   121.01
_cell_angle_gamma   88.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeB
_chemical_formula_sum   'K2 Be1 B1'
_cell_volume   87.66
_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  K2  1  0.47  0.0  0.8  1.0
  K  K3  1  0.0  0.0  0.6  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  B  B0  1  0.0  0.47  0.8  1.0

data_K2BeB
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.01
_cell_angle_alpha   119.5
_cell_angle_beta   119.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2BeB
_chemical_formula_sum   'K2 Be1 B1'
_cell_volume   87.66
_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  0.6  0.6  0.6  1.0
  K  K1  1  0.8  0.33  0.33  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  B  B3  1  0.33  0.8  0.33  1.0

K K Be B