data_[Er20Tc4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2607]
_cell_length_b [13.5457]
_cell_length_c [6.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er5TcNi]
_chemical_formula_sum '[Er20 Tc4 Ni4]'
_cell_volume [745.9528]
_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  8  0.1064  0.3475  0.0627  1
  Er  Er1  8  0.2293  0.0829  0.3600  1
  Er  Er2  4  0.0000  0.1469  0.7500  1
  Tc  Tc3  4  0.0000  0.4990  0.2500  1
  Ni  Ni4  4  0.0000  0.0000  0.0000  1
]