data_SrBeGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeGa2
_chemical_formula_sum   'Sr1 Be1 Ga2'
_cell_volume   78.68
_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
  Sr  Sr3  1  0.0  0.0  0.62  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.24  0.0  0.32  1.0
  Ga  Ga2  1  0.24  0.0  0.93  1.0

data_SrBeGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.3
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrBeGa2
_chemical_formula_sum   'Sr1 Be1 Ga2'
_cell_volume   78.68
_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
  Sr  Sr0  1  0.0  0.0  0.62  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.24  0.0  0.32  1.0
  Ga  Ga3  1  0.24  0.0  0.93  1.0

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