data_[Ga2Pd8Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5768]
_cell_length_b [7.0414]
_cell_length_c [6.5150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.2299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaPd4Se]
_chemical_formula_sum '[Ga2 Pd8 Se2]'
_cell_volume [208.7176]
_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
[
  Ga  Ga0  2  0.2727  0.2500  0.4714  1
  Pd  Pd1  4  0.3400  0.5460  0.6797  1
  Pd  Pd2  2  0.1567  0.7500  0.3146  1
  Pd  Pd3  2  0.3839  0.2500  0.9573  1
  Se  Se4  2  0.0968  0.7500  0.9266  1
]