data_[Na4Cu4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8945]
_cell_length_b [4.3168]
_cell_length_c [7.7474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7069]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaCuTe]
_chemical_formula_sum '[Na4 Cu4 Te4]'
_cell_volume [315.2379]
_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  2  0.0000  0.0000  0.0000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Cu  Cu2  4  0.2110  0.0000  0.4098  1
  Te  Te3  4  0.2405  0.5000  0.2349  1
]