data_[Y4Er12Ni4]
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 [P2_1/c]
_cell_length_a [7.8567]
_cell_length_b [7.1108]
_cell_length_c [9.8253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8482]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [YEr3Ni]
_chemical_formula_sum '[Y4 Er12 Ni4]'
_cell_volume [525.3495]
_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  4  0.3162  0.0412  0.7432  1.0
  Er  Er1  4  0.0838  0.1298  0.3933  1.0
  Er  Er2  4  0.2173  0.5087  0.6203  1.0
  Er  Er3  4  0.4303  0.7050  0.9734  1.0
  Ni  Ni4  4  0.0630  0.7393  0.3926  1.0
]