data_BeZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   5.17
_cell_angle_alpha   101.64
_cell_angle_beta   101.64
_cell_angle_gamma   40.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnGa2
_chemical_formula_sum   'Be1 Zn1 Ga2'
_cell_volume   59.94
_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
  Zn  Zn3  1  0.45  0.0  0.52  1.0
  Ga  Ga1  1  0.22  0.0  0.9  1.0
  Ga  Ga2  1  0.69  0.0  0.15  1.0

data_BeZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.27
_cell_length_c   5.17
_cell_angle_alpha   101.64
_cell_angle_beta   90.0
_cell_angle_gamma   110.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnGa2
_chemical_formula_sum   'Be1 Zn1 Ga2'
_cell_volume   59.94
_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
  Zn  Zn1  1  0.0  0.55  0.48  1.0
  Ga  Ga2  1  0.0  0.31  0.85  1.0
  Ga  Ga3  1  0.0  0.78  0.1  1.0

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