data_K2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   150.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2Be
_chemical_formula_sum   'K4 Be2'
_cell_volume   248.37
_cell_formula_units_Z   2
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  0.29  0.2  0.62  1.0
  K  K3  1  0.29  0.41  0.62  1.0
  K  K4  1  0.29  0.59  0.54  1.0
  K  K5  1  0.29  0.8  0.54  1.0
  Be  Be0  1  0.29  0.13  0.62  1.0
  Be  Be1  1  0.29  0.87  0.54  1.0

data_K2Be
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.58
_cell_length_b   6.17
_cell_length_c   9.09
_cell_angle_alpha   90.0
_cell_angle_beta   104.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K2Be
_chemical_formula_sum   'K4 Be2'
_cell_volume   248.37
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.2  0.96  0.7  1.0
  K  K1  2  0.41  0.96  0.91  1.0
  Be  Be2  2  0.13  0.96  0.63  1.0

K K K K Be Be
K K K K Be Be 0 4 o o o 0 1 o o o 1 2 o o o 2 3 o o o 3 5 o o o 