data_Ga2BSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.0
_cell_length_b   6.0
_cell_length_c   6.0
_cell_angle_alpha   144.84
_cell_angle_beta   144.84
_cell_angle_gamma   50.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BSe
_chemical_formula_sum   'Ga2 B1 Se1'
_cell_volume   71.22
_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
  Ga  Ga1  1  0.81  0.0  0.71  1.0
  Ga  Ga2  1  0.0  0.0  0.42  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.81  0.71  1.0

data_Ga2BSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   6.0
_cell_angle_alpha   107.58
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BSe
_chemical_formula_sum   'Ga2 B1 Se1'
_cell_volume   71.22
_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
  Ga  Ga0  1  0.29  0.0  0.1  1.0
  Ga  Ga1  1  0.58  0.0  0.58  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.1  0.81  0.1  1.0

Ga Ga B Se