data_K2LiBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2LiBe
_chemical_formula_sum   'K2 Li1 Be1'
_cell_volume   152.28
_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  0.03  0.89  0.23  1.0
  K  K2  1  0.03  0.11  0.23  1.0
  Li  Li3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.06  0.0  0.0  1.0

data_K2LiBe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.46
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   K2LiBe
_chemical_formula_sum   'K2 Li1 Be1'
_cell_volume   152.39
_cell_formula_units_Z   1
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  0.23  0.11  0.03  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Be  Be2  1  0.0  0.0  0.06  1.0

K K Li Be