data_Be4Zn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   95.56
_cell_angle_beta   95.56
_cell_angle_gamma   143.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Zn5
_chemical_formula_sum   'Be4 Zn5'
_cell_volume   108.64
_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  0.96  0.0  1.0
  Be  Be1  1  0.0  0.81  0.0  1.0
  Be  Be2  1  0.81  0.0  0.0  1.0
  Be  Be3  1  0.96  0.0  0.0  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.66  0.34  0.8  1.0
  Zn  Zn6  1  0.34  0.66  0.8  1.0
  Zn  Zn7  1  0.55  0.55  0.0  1.0
  Zn  Zn8  1  0.34  0.34  0.8  1.0

data_Be4Zn5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.6
_cell_length_b   10.99
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   108.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be4Zn5
_chemical_formula_sum   'Be8 Zn10'
_cell_volume   217.29
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.02  0.02  -0.0  1.0
  Be  Be1  4  0.1  0.1  -0.0  1.0
  Zn  Zn2  4  0.0  0.34  0.2  1.0
  Zn  Zn3  2  0.0  0.0  0.0  1.0
  Zn  Zn4  2  0.16  0.5  0.2  1.0
  Zn  Zn5  2  0.45  0.0  -0.0  1.0

Be Be Be Be Zn Zn Zn Zn Zn
Be Be Be Be Zn Zn Zn Zn Zn 0 4 o + o 0 1 o o o 1 5 - o - 2 3 o o o 2 6 o - - 3 4 + o o 5 8 o o o 5 7 o o + 6 8 o o o 6 7 o o + 7 8 o o - 