data_[Na2Ge2As2Se6]
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
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1984]
_cell_length_b [3.8972]
_cell_length_c [11.2258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGeAsSe3]
_chemical_formula_sum '[Na2 Ge2 As2 Se6]'
_cell_volume [310.5859]
_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  2  0.0399  0.7500  0.1670  1.0
  Ge  Ge1  2  0.3972  0.7500  0.5654  1.0
  As  As2  2  0.4587  0.2500  0.8509  1.0
  Se  Se3  2  0.2081  0.2500  0.6417  1.0
  Se  Se4  2  0.2662  0.7500  0.9480  1.0
  Se  Se5  2  0.3491  0.2500  0.2494  1.0
]