data_[Er2Fe2H2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.4181]
_cell_length_b [3.4181]
_cell_length_c [7.3521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [ErFeHC]
_chemical_formula_sum '[Er2 Fe2 H2 C2]'
_cell_volume [85.8977]
_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  0.0000  0.5000  0.3124  1.0
  Fe  Fe1  2  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.0000  0.0000  0.5000  1.0
  C  C3  2  0.0000  0.5000  0.8689  1.0
]