data_[Ga1Pd1Se3]
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 [P1]
_cell_length_a [3.8307]
_cell_length_b [4.5738]
_cell_length_c [19.3244]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [101.7591]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [GaPdSe3]
_chemical_formula_sum '[Ga1 Pd1 Se3]'
_cell_volume [331.4712]
_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  1  0.2501  0.8357  0.4288  1
  Pd  Pd1  1  0.0590  0.3690  0.4893  1
  Se  Se2  1  0.2705  0.6007  0.5979  1
  Se  Se3  1  0.8170  0.1119  0.3801  1
  Se  Se4  1  0.9547  0.0835  0.6039  1
]