data_[Er8Tl4H2]
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 [P2_1/m]
_cell_length_a [6.0960]
_cell_length_b [6.6792]
_cell_length_c [8.9316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er4Tl2H]
_chemical_formula_sum '[Er8 Tl4 H2]'
_cell_volume [347.6798]
_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  0.2632  0.0004  0.7318  1
  Er  Er1  2  0.1802  0.7500  0.0700  1
  Er  Er2  2  0.2804  0.2500  0.3726  1
  Tl  Tl3  2  0.2072  0.7500  0.4202  1
  Tl  Tl4  2  0.3446  0.2500  0.0418  1
  H  H5  2  0.0740  0.7500  0.7998  1
]