data_[B2Te2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2967]
_cell_length_b [5.0033]
_cell_length_c [5.3378]
_cell_angle_alpha [108.5463]
_cell_angle_beta [99.5960]
_cell_angle_gamma [98.9898]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BTeH]
_chemical_formula_sum '[B2 Te2 H2]'
_cell_volume [104.5461]
_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
[
  B  B0  2  0.3716  0.5828  0.0829  1
  Te  Te1  2  0.0017  0.7245  0.8032  1
  H  H2  2  0.4620  0.7905  0.2905  1
]