data_[Na4Ge8As12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.4342]
_cell_length_b [3.9548]
_cell_length_c [7.5475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaGe2As3]
_chemical_formula_sum '[Na4 Ge8 As12]'
_cell_volume [632.5360]
_cell_formula_units_Z [4]
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  0.1564  0.5000  0.4482  1
  Ge  Ge1  4  0.0426  0.0000  0.8714  1
  Ge  Ge2  4  0.1898  0.5000  0.9648  1
  As  As3  4  0.0725  0.0000  0.2114  1
  As  As4  4  0.0828  0.5000  0.7316  1
  As  As5  4  0.2214  0.0000  0.1816  1
]