data_[Er6Ge2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3382]
_cell_length_b [3.8807]
_cell_length_c [8.8640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er3GeH]
_chemical_formula_sum '[Er6 Ge2 H2]'
_cell_volume [214.3697]
_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  2  0.0973  0.2500  0.3660  1
  Er  Er1  2  0.2255  0.2500  0.9312  1
  Er  Er2  2  0.4157  0.7500  0.6539  1
  Ge  Ge3  2  0.2847  0.7500  0.1710  1
  H  H4  2  0.1653  0.2500  0.6529  1
]