data_[Y12Er4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5640]
_cell_length_b [8.5307]
_cell_length_c [8.0516]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.9923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3ErNi]
_chemical_formula_sum '[Y12 Er4 Ni4]'
_cell_volume [571.4356]
_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
[
  Y  Y0  8  0.2457  0.2002  0.2837  1
  Y  Y1  4  0.0481  0.5000  0.8354  1
  Er  Er2  4  0.0498  0.0000  0.7568  1
  Ni  Ni3  4  0.2470  0.0000  0.6296  1
]