data_[Y6Te2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0098]
_cell_length_b [3.8774]
_cell_length_c [10.1923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.6606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3TeH]
_chemical_formula_sum '[Y6 Te2 H2]'
_cell_volume [276.1121]
_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
[
  Y  Y0  2  0.2689  0.2500  0.7268  1
  Y  Y1  2  0.3019  0.7500  0.0453  1
  Y  Y2  2  0.3530  0.2500  0.3903  1
  Te  Te3  2  0.0278  0.2500  0.1774  1
  H  H4  2  0.4959  0.2500  0.5924  1
]