data_KBeCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.73
_cell_angle_alpha   108.13
_cell_angle_beta   108.13
_cell_angle_gamma   59.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCd2
_chemical_formula_sum   'K1 Be1 Cd2'
_cell_volume   114.35
_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  K3  1  0.67  0.0  0.07  1.0
  Be  Be0  1  0.4  0.0  0.15  1.0
  Cd  Cd1  1  0.05  0.0  0.37  1.0
  Cd  Cd2  1  0.29  0.0  0.83  1.0

data_KBeCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.61
_cell_length_c   6.73
_cell_angle_alpha   108.13
_cell_angle_beta   90.0
_cell_angle_gamma   119.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeCd2
_chemical_formula_sum   'K1 Be1 Cd2'
_cell_volume   114.35
_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  0.33  0.93  1.0
  Be  Be1  1  0.0  0.6  0.85  1.0
  Cd  Cd2  1  0.0  0.71  0.17  1.0
  Cd  Cd3  1  0.0  0.95  0.63  1.0

K Be Cd Cd