data_Be2GaSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.34
_cell_length_c   6.27
_cell_angle_alpha   104.18
_cell_angle_beta   104.18
_cell_angle_gamma   59.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaSe
_chemical_formula_sum   'Be2 Ga1 Se1'
_cell_volume   57.73
_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  0.94  0.0  0.66  1.0
  Be  Be1  1  0.09  0.0  0.35  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.02  0.0  0.01  1.0

data_Be2GaSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   3.34
_cell_length_c   6.27
_cell_angle_alpha   104.18
_cell_angle_beta   90.0
_cell_angle_gamma   119.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2GaSe
_chemical_formula_sum   'Be2 Ga1 Se1'
_cell_volume   57.73
_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  0.06  0.34  1.0
  Be  Be1  1  0.0  0.91  0.65  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.98  0.99  1.0

Be Be Ga Se