data_[Al2Te4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.4310]
_cell_length_b [3.9551]
_cell_length_c [7.3402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AlTe2H]
_chemical_formula_sum '[Al2 Te4 H2]'
_cell_volume [215.0368]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.1888  0.5000  0.0183  1
  Te  Te1  2  0.2738  0.0000  0.2925  1
  Te  Te2  2  0.4856  0.5000  0.8344  1
  H  H3  2  0.0596  0.0000  0.3548  1
]