data_BeZn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   6.5
_cell_angle_alpha   110.02
_cell_angle_beta   110.02
_cell_angle_gamma   28.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn5
_chemical_formula_sum   'Be1 Zn5'
_cell_volume   82.88
_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
  Be  Be0  1  0.11  0.0  0.06  1.0
  Zn  Zn1  1  0.92  0.0  0.1  1.0
  Zn  Zn2  1  0.14  0.0  0.91  1.0
  Zn  Zn3  1  0.58  0.0  0.51  1.0
  Zn  Zn4  1  0.97  0.0  0.37  1.0
  Zn  Zn5  1  0.88  0.0  0.32  1.0

data_BeZn5
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   5.36
_cell_length_c   6.5
_cell_angle_alpha   110.02
_cell_angle_beta   90.0
_cell_angle_gamma   104.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZn5
_chemical_formula_sum   'Be1 Zn5'
_cell_volume   82.88
_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
  Be  Be0  1  0.0  0.89  0.94  1.0
  Zn  Zn1  1  0.0  0.03  0.63  1.0
  Zn  Zn2  1  0.0  0.08  0.9  1.0
  Zn  Zn3  1  0.0  0.12  0.68  1.0
  Zn  Zn4  1  0.0  0.42  0.49  1.0
  Zn  Zn5  1  0.0  0.86  0.09  1.0

Be Zn Zn Zn Zn Zn
Be Zn Zn Zn Zn Zn 0 1 - o o 0 2 o o - 3 3 + - o 3 5 o o o 3 4 o o o 4 5 o o o 