data_BeGa2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   3.38
_cell_angle_alpha   103.08
_cell_angle_beta   103.08
_cell_angle_gamma   27.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Se
_chemical_formula_sum   'Be1 Ga2 Se1'
_cell_volume   73.6
_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
  Ga  Ga1  1  0.6  0.0  0.69  1.0
  Ga  Ga2  1  0.13  0.0  0.6  1.0
  Se  Se3  1  0.37  0.0  0.65  1.0

data_BeGa2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.38
_cell_length_c   6.96
_cell_angle_alpha   103.08
_cell_angle_beta   103.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGa2Se
_chemical_formula_sum   'Be1 Ga2 Se1'
_cell_volume   73.6
_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
  Ga  Ga1  1  0.0  0.6  0.13  1.0
  Ga  Ga2  1  0.0  0.69  0.6  1.0
  Se  Se3  1  0.0  0.65  0.37  1.0

Be Ga Ga Se