data_[Ba4Y2Ga2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.4234]
_cell_length_b [8.7865]
_cell_length_c [9.5696]
_cell_angle_alpha [103.4869]
_cell_angle_beta [103.0039]
_cell_angle_gamma [107.4036]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ba2YGaSe5]
_chemical_formula_sum '[Ba4 Y2 Ga2 Se10]'
_cell_volume [549.1779]
_cell_formula_units_Z [2]
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  2  0.3461  0.5127  0.7090  1.0
  Ba  Ba1  2  0.3688  0.0225  0.7118  1.0
  Y  Y2  2  0.0023  0.2701  0.0021  1.0
  Ga  Ga3  2  0.1900  0.1265  0.3114  1.0
  Se  Se4  2  0.0089  0.3159  0.3129  1.0
  Se  Se5  2  0.0105  0.8445  0.3094  1.0
  Se  Se6  2  0.2855  0.0911  0.0740  1.0
  Se  Se7  2  0.2930  0.5890  0.0547  1.0
  Se  Se8  2  0.4941  0.7435  0.4942  1.0
]