data_[Ga9Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.7677]
_cell_length_b [7.7677]
_cell_length_c [18.8562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ga9Se4]
_chemical_formula_sum '[Ga9 Se4]'
_cell_volume [985.3120]
_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  6  0.1937  0.4221  0.5730  1
  Ga  Ga1  3  0.0000  0.7434  0.4525  1
  Se  Se2  3  0.0000  0.4138  0.4453  1
  Se  Se3  1  0.0000  0.0000  0.3685  1
]