data_BeGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.52
_cell_length_b   3.26
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaSi2
_chemical_formula_sum   'Be1 Ga1 Si2'
_cell_volume   57.59
_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  0.4  1.0
  Ga  Ga1  1  0.26  0.63  0.0  1.0
  Si  Si2  1  0.26  0.0  0.1  1.0
  Si  Si3  1  0.26  0.63  0.05  1.0

data_BeGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   3.26
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaSi2
_chemical_formula_sum   'Be1 Ga1 Si2'
_cell_volume   57.59
_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  0.4  1.0
  Ga  Ga1  1  0.26  0.63  0.0  1.0
  Si  Si2  1  0.26  0.0  0.1  1.0
  Si  Si3  1  0.26  0.63  0.05  1.0

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