[CIF]
data_BaGe4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82263336
_cell_length_b   5.82263336
_cell_length_c   5.82263336
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGe4Se
_chemical_formula_sum   'Ba1 Ge4 Se1'
_cell_volume   139.58647304
_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  2.05861177  2.05861177  2.05861177  1
  Ge  Ge1  1  3.08732532  3.08732532  5.14712174  1
  Ge  Ge2  1  3.08732532  5.14712174  3.08732532  1
  Ge  Ge3  1  5.14712174  3.08732532  3.08732532  1
  Ge  Ge4  1  5.14712174  5.14712174  5.14712174  1
  Se  Se5  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
