data_[Na4Tc4Te4Au4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6429]
_cell_length_b [15.3783]
_cell_length_c [10.6113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaTcTeAuSe2]
_chemical_formula_sum '[Na4 Tc4 Te4 Au4 Se8]'
_cell_volume [594.4671]
_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  0.0000  0.2709  0.2500  1
  Tc  Tc1  4  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.0000  0.0562  0.7500  1
  Au  Au3  4  0.0000  0.3810  0.7500  1
  Se  Se4  8  0.0000  0.3814  0.5180  1
]