data_[Th6Tc2Te2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  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 [8.3173]
_cell_length_b [4.2473]
_cell_length_c [8.8812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8868]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Th3TcTeH]
_chemical_formula_sum '[Th6 Tc2 Te2 H2]'
_cell_volume [303.2101]
_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
[
  Th  Th0  2  0.1742  0.7500  0.9026  1
  Th  Th1  2  0.1932  0.2500  0.5545  1
  Th  Th2  2  0.4366  0.2500  0.2242  1
  Tc  Tc3  2  0.3984  0.2500  0.8821  1
  Te  Te4  2  0.1324  0.7500  0.2641  1
  H  H5  2  0.0953  0.7500  0.6159  1
]