data_Be3Zn4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.31
_cell_length_b   9.31
_cell_length_c   9.31
_cell_angle_alpha   161.14
_cell_angle_beta   161.14
_cell_angle_gamma   26.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be3Zn4
_chemical_formula_sum   'Be3 Zn4'
_cell_volume   84.35
_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  0.0  0.0  1.0
  Be  Be1  1  0.0  0.0  0.02  1.0
  Be  Be2  1  0.0  0.0  0.09  1.0
  Zn  Zn3  1  0.0  0.0  0.37  1.0
  Zn  Zn4  1  0.0  0.0  0.75  1.0
  Zn  Zn5  1  0.0  0.0  0.32  1.0
  Zn  Zn6  1  0.0  0.0  0.79  1.0

data_Be3Zn4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   103.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be3Zn4
_chemical_formula_sum   'Be6 Zn8'
_cell_volume   168.7
_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  2  0.0  0.0  0.0  1.0
  Be  Be1  2  0.02  0.0  0.02  1.0
  Be  Be2  2  0.09  0.0  0.09  1.0
  Zn  Zn3  2  0.25  0.5  0.75  1.0
  Zn  Zn4  2  0.29  0.5  0.79  1.0
  Zn  Zn5  2  0.32  0.0  0.32  1.0
  Zn  Zn6  2  0.37  0.0  0.37  1.0

Be Be Be Zn Zn Zn Zn