data_KBe2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   150.88
_cell_angle_beta   122.4
_cell_angle_gamma   65.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Pd
_chemical_formula_sum   'K1 Be2 Pd1'
_cell_volume   70.15
_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  0.0  0.0  0.64  1.0
  Be  Be0  1  0.0  0.0  0.03  1.0
  Be  Be1  1  0.0  0.68  0.92  1.0
  Pd  Pd3  1  0.4  0.0  0.75  1.0

data_KBe2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.36
_cell_length_c   5.57
_cell_angle_alpha   118.8
_cell_angle_beta   104.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Pd
_chemical_formula_sum   'K1 Be2 Pd1'
_cell_volume   70.15
_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  0.64  0.64  1.0
  Be  Be1  1  0.0  0.03  0.03  1.0
  Be  Be2  1  0.32  0.23  0.23  1.0
  Pd  Pd3  1  0.0  0.75  0.36  1.0

K Be Be Pd