data_[Pr1Er1Ni2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0730]
_cell_length_b [4.0730]
_cell_length_c [7.8669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PrEr(NiAs)2]
_chemical_formula_sum '[Pr1 Er1 Ni2 As2]'
_cell_volume [113.0240]
_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  0.0000  0.0000  0.0000  1.0
  Er  Er1  1  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.3333  0.6667  0.2638  1.0
  As  As3  2  0.3333  0.6667  0.7372  1.0
]