data_[Er4Cu4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.4851]
_cell_length_b [11.0662]
_cell_length_c [4.0488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [ErCuH4]
_chemical_formula_sum '[Er4 Cu4 H16]'
_cell_volume [200.9551]
_cell_formula_units_Z [4]
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  0.2500  0.1374  0.9413  1.0
  Cu  Cu1  4  0.2500  0.4162  0.9296  1.0
  H  H2  8  0.0167  0.1933  0.4684  1.0
  H  H3  4  0.0000  0.0000  0.6540  1.0
  H  H4  4  0.2500  0.4309  0.5379  1.0
]