data_[Er1Pd1F5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3205]
_cell_length_b [5.3285]
_cell_length_c [5.7905]
_cell_angle_alpha [91.9169]
_cell_angle_beta [99.4094]
_cell_angle_gamma [109.0821]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErPdF5]
_chemical_formula_sum '[Er1 Pd1 F5]'
_cell_volume [123.7455]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Pd  Pd1  1  0.0000  0.5000  0.5000  1
  F  F2  2  0.1000  0.3474  0.8007  1
  F  F3  2  0.1703  0.2546  0.3293  1
  F  F4  1  0.5000  0.0000  0.0000  1
]