data_KBe2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.6
_cell_length_b   3.74
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Zn
_chemical_formula_sum   'K1 Be2 Zn1'
_cell_volume   72.48
_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  0.06  0.0  0.63  1.0
  Be  Be0  1  0.4  0.0  0.57  1.0
  Be  Be1  1  0.72  0.87  0.78  1.0
  Zn  Zn3  1  0.91  0.87  0.22  1.0

data_KBe2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   3.74
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   94.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBe2Zn
_chemical_formula_sum   'K1 Be2 Zn1'
_cell_volume   72.48
_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  0.06  0.0  0.63  1.0
  Be  Be1  1  0.4  0.0  0.57  1.0
  Be  Be2  1  0.72  0.87  0.78  1.0
  Zn  Zn3  1  0.91  0.87  0.22  1.0

K Be Be Zn
K Be Be Zn 0 1 o o o 0 2 - - o 0 3 - - o 1 2 o - o 1 3 o - o 1 3 - - o 3 3 + o o 