data_[Na4Te4H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [8.1527]
_cell_length_b [4.6289]
_cell_length_c [9.2648]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NaTeH]
_chemical_formula_sum '[Na4 Te4 H4]'
_cell_volume [349.6387]
_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  0.2498  0.0049  0.2486  1
  Te  Te1  2  0.0000  0.0189  0.4984  1
  Te  Te2  2  0.5000  0.4952  0.7468  1
  H  H3  2  0.0000  0.3834  0.5004  1
  H  H4  2  0.5000  0.4932  0.5646  1
]