data_Be4Cu5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   96.53
_cell_angle_beta   96.53
_cell_angle_gamma   140.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4Cu5
_chemical_formula_sum   'Be4 Cu5'
_cell_volume   92.66
_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  0.72  0.0  1.0
  Be  Be1  1  0.0  0.43  0.0  1.0
  Be  Be2  1  0.43  0.0  0.0  1.0
  Be  Be3  1  0.72  0.0  0.0  1.0
  Cu  Cu4  1  0.0  0.0  0.0  1.0
  Cu  Cu5  1  0.77  0.23  0.81  1.0
  Cu  Cu6  1  0.23  0.77  0.81  1.0
  Cu  Cu7  1  0.34  0.34  0.0  1.0
  Cu  Cu8  1  0.23  0.23  0.81  1.0

data_Be4Cu5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.62
_cell_length_b   10.11
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   109.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be4Cu5
_chemical_formula_sum   'Be8 Cu10'
_cell_volume   185.32
_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  0.14  0.14  -0.0  1.0
  Be  Be1  4  0.28  0.28  -0.0  1.0
  Cu  Cu2  4  0.31  0.27  0.81  1.0
  Cu  Cu3  2  0.0  0.0  0.0  1.0
  Cu  Cu4  2  0.08  0.5  0.81  1.0
  Cu  Cu5  2  0.16  0.5  -0.0  1.0

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