data_[Er8Tl10H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1582]
_cell_length_b [3.5839]
_cell_length_c [8.7184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er4Tl5H2]
_chemical_formula_sum '[Er8 Tl10 H4]'
_cell_volume [541.5682]
_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
[
  Er  Er0  4  0.0028  0.0000  0.6962  1
  Er  Er1  4  0.1584  0.5000  0.6657  1
  Tl  Tl2  4  0.1711  0.0000  0.3554  1
  Tl  Tl3  4  0.1733  0.0000  0.0009  1
  Tl  Tl4  2  0.0000  0.5000  0.0000  1
  H  H5  4  0.0515  0.5000  0.6733  1
]