[CIF]
data_BaGaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30617112
_cell_length_b   3.83397646
_cell_length_c   7.45219515
_cell_angle_alpha   90.00000000
_cell_angle_beta   97.95234880
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaSe2
_chemical_formula_sum   'Ba1 Ga1 Se2'
_cell_volume   121.85078445
_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
  Ba  Ba0  1  1.63758191  0.00000000  3.69026546  1
  Ga  Ga1  1  0.00000000  0.00000000  0.00000000  1
  Se  Se2  1  3.78326333  1.91698823  1.87311653  1
  Se  Se3  1  -0.50809950  1.91698823  5.50741438  1
[/CIF]
