data_[Er13Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3697]
_cell_length_b [7.9577]
_cell_length_c [9.1569]
_cell_angle_alpha [65.0105]
_cell_angle_beta [84.7272]
_cell_angle_gamma [82.0017]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Er13Ni2]
_chemical_formula_sum '[Er13 Ni2]'
_cell_volume [416.3183]
_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  2  0.0007  0.8055  0.6678  1.0
  Er  Er1  2  0.1672  0.6537  0.3706  1.0
  Er  Er2  2  0.2390  0.5599  0.0403  1.0
  Er  Er3  2  0.2989  0.3645  0.7700  1.0
  Er  Er4  2  0.4555  0.0717  0.1547  1.0
  Er  Er5  2  0.4750  0.2349  0.4440  1.0
  Er  Er6  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni7  2  0.1805  0.0897  0.6824  1.0
]