data_[Na4Te4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1928]
_cell_length_b [4.7117]
_cell_length_c [7.4455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaTeAs]
_chemical_formula_sum '[Na4 Te4 As4]'
_cell_volume [368.0804]
_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  0.1277  0.5000  0.4557  1
  Te  Te1  4  0.1723  0.0000  0.7679  1
  As  As2  4  0.0411  0.0000  0.1694  1
]