data_KLa2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   10.58
_cell_angle_alpha   95.63
_cell_angle_beta   95.63
_cell_angle_gamma   48.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Be
_chemical_formula_sum   'K1 La2 Be1'
_cell_volume   160.2
_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  0.53  0.0  0.26  1.0
  La  La2  1  0.73  0.0  0.52  1.0
  La  La3  1  0.33  0.0  0.99  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_KLa2Be
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   4.5
_cell_length_c   10.58
_cell_angle_alpha   95.63
_cell_angle_beta   90.0
_cell_angle_gamma   114.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Be
_chemical_formula_sum   'K1 La2 Be1'
_cell_volume   160.2
_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  0.47  0.74  1.0
  La  La1  1  0.0  0.27  0.48  1.0
  La  La2  1  0.0  0.67  0.01  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

K La La Be