data_KNaBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   8.28
_cell_angle_alpha   102.68
_cell_angle_beta   102.68
_cell_angle_gamma   56.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaBe2
_chemical_formula_sum   'K1 Na1 Be2'
_cell_volume   106.94
_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  0.39  0.0  0.35  1.0
  Na  Na3  1  0.33  0.0  0.96  1.0
  Be  Be0  1  0.99  0.0  0.86  1.0
  Be  Be1  1  0.77  0.0  0.86  1.0

data_KNaBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   4.0
_cell_length_c   8.28
_cell_angle_alpha   102.68
_cell_angle_beta   90.0
_cell_angle_gamma   118.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNaBe2
_chemical_formula_sum   'K1 Na1 Be2'
_cell_volume   106.94
_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  0.61  0.65  1.0
  Na  Na1  1  0.0  0.67  0.04  1.0
  Be  Be2  1  0.0  0.01  0.14  1.0
  Be  Be3  1  0.0  0.23  0.14  1.0

K Na Be Be
K Na Be Be 0 0 o + o 0 0 + - o 0 0 + o o 0 1 o o - 0 3 - o - 0 3 o o o 0 2 - o - 0 2 o o o 1 2 - o o 2 3 o o o 