data_[Pr1Er3Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [5.2933]
_cell_length_b [5.2933]
_cell_length_c [5.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [PrEr3Ni]
_chemical_formula_sum '[Pr1 Er3 Ni1]'
_cell_volume [148.3154]
_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
[
  Pr  Pr0  1  0.5000  0.5000  0.5000  1
  Er  Er1  3  0.0000  0.0000  0.5000  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
]