data_[Na8Pr6Ga2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pr  1.1300  1.8500  1.0600
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6862]
_cell_length_b [8.4080]
_cell_length_c [8.5763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8638]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na4Pr3GaSe8]
_chemical_formula_sum '[Na8 Pr6 Ga2 Se16]'
_cell_volume [868.9409]
_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
[
  Na  Na0  4  0.2500  0.2500  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Pr  Pr3  4  0.2500  0.2500  0.5000  1.0
  Pr  Pr4  2  0.0000  0.5000  0.5000  1.0
  Ga  Ga5  2  0.0000  0.0000  0.5000  1.0
  Se  Se6  8  0.0011  0.2236  0.2785  1.0
  Se  Se7  4  0.2457  0.5000  0.7398  1.0
  Se  Se8  4  0.2477  0.0000  0.7426  1.0
]