data_[Na2Ge1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2699]
_cell_length_b [17.9772]
_cell_length_c [6.0012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Na2GeSe3]
_chemical_formula_sum '[Na2 Ge1 Se3]'
_cell_volume [568.2023]
_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
[
  Na  Na0  2  0.6176  0.4172  0.7926  1
  Ge  Ge1  1  0.0911  0.5000  0.3591  1
  Se  Se2  2  0.6358  0.4334  0.2909  1
  Se  Se3  1  0.1175  0.5000  0.7706  1
]