data_[Al2Te2H2]
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 [P1]
_cell_length_a [4.0874]
_cell_length_b [4.0909]
_cell_length_c [11.5320]
_cell_angle_alpha [90.7433]
_cell_angle_beta [90.1230]
_cell_angle_gamma [119.9445]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlTeH]
_chemical_formula_sum '[Al2 Te2 H2]'
_cell_volume [167.0636]
_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  1  0.2672  0.0713  0.1725  1
  Al  Al1  1  0.2750  0.0840  0.3948  1
  Te  Te2  1  0.9301  0.3987  0.0607  1
  Te  Te3  1  0.9456  0.4238  0.5067  1
  H  H4  1  0.2152  0.9732  0.7626  1
  H  H5  1  0.3193  0.1393  0.8029  1
]