data_Be2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   130.77
_cell_angle_beta   130.77
_cell_angle_gamma   72.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2ZnGa
_chemical_formula_sum   'Be2 Zn1 Ga1'
_cell_volume   48.95
_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  0.85  0.0  0.79  1.0
  Be  Be1  1  0.0  0.85  0.79  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.58  1.0

data_Be2ZnGa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   126.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2ZnGa
_chemical_formula_sum   'Be4 Zn2 Ga2'
_cell_volume   97.91
_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  0.08  0.92  0.94  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  2  0.0  0.0  0.58  1.0

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