data_[Er16Tc16H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [2.9762]
_cell_length_b [12.9733]
_cell_length_c [18.1024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [ErTcH]
_chemical_formula_sum '[Er16 Tc16 H16]'
_cell_volume [698.9569]
_cell_formula_units_Z [16]
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
[
  Er  Er0  16  0.0000  0.1325  0.0000  1
  Tc  Tc1  16  0.0000  0.0000  0.1282  1
  H  H2  16  0.0000  0.0000  0.4353  1
]