data_[Y1Er3Ni4]
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 [Pm]
_cell_length_a [5.3876]
_cell_length_b [4.1400]
_cell_length_c [6.9877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2974]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YEr3Ni4]
_chemical_formula_sum '[Y1 Er3 Ni4]'
_cell_volume [155.8569]
_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
[
  Y  Y0  1  0.3692  0.0000  0.3207  1
  Er  Er1  1  0.1313  0.0000  0.8201  1
  Er  Er2  1  0.6326  0.5000  0.6813  1
  Er  Er3  1  0.8683  0.5000  0.1791  1
  Ni  Ni4  1  0.1237  0.5000  0.5398  1
  Ni  Ni5  1  0.3739  0.5000  0.0343  1
  Ni  Ni6  1  0.6276  0.0000  0.9604  1
  Ni  Ni7  1  0.8735  0.0000  0.4642  1
]