data_K2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Be
_chemical_formula_sum   'K6 Be3'
_cell_volume   381.6
_cell_formula_units_Z   3
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  K3  1  0.41  0.0  0.54  1.0
  K  K4  1  0.8  0.08  0.54  1.0
  K  K5  1  0.45  0.98  0.54  1.0
  K  K6  1  0.5  0.0  0.0  1.0
  K  K7  1  0.25  0.76  0.0  1.0
  K  K8  1  0.91  0.3  0.0  1.0
  Be  Be0  1  0.0  0.38  0.54  1.0
  Be  Be1  1  0.66  0.69  0.54  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0

data_K2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.08
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Be
_chemical_formula_sum   'K6 Be3'
_cell_volume   381.6
_cell_formula_units_Z   3
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  0.25  0.76  1.0
  K  K1  1  0.0  0.5  0.0  1.0
  K  K2  1  0.0  0.91  0.3  1.0
  K  K3  1  0.54  0.41  0.0  1.0
  K  K4  1  0.54  0.45  0.98  1.0
  K  K5  1  0.54  0.8  0.08  1.0
  Be  Be6  1  0.0  0.0  0.0  1.0
  Be  Be7  1  0.54  0.0  0.38  1.0
  Be  Be8  1  0.54  0.66  0.69  1.0

K K K K K K Be Be Be
K K K K K K Be Be Be 0 2 o - o 0 3 o o + 1 2 o - o 1 6 + o o 1 5 o o + 1 7 o - o 1 8 + o + 1 8 + o o 2 3 o + + 2 3 o + o 2 7 o o o 3 4 o - o 4 8 o + o 5 6 + o - 5 6 + o o 5 8 + o o 6 8 o o + 7 8 + + o 7 8 + + + 