data_KNa2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   5.63
_cell_angle_alpha   122.11
_cell_angle_beta   122.11
_cell_angle_gamma   86.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KNa2Be
_chemical_formula_sum   'K1 Na2 Be1'
_cell_volume   121.85
_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  0.1  1.0
  Na  Na2  1  0.0  0.72  0.05  1.0
  Na  Na3  1  0.72  0.0  0.05  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_KNa2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.71
_cell_length_b   7.71
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   133.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KNa2Be
_chemical_formula_sum   'K2 Na4 Be2'
_cell_volume   243.7
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.4  0.5  0.9  1.0
  Na  Na1  4  0.31  0.36  0.67  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0

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