data_[Er1Sc1Zn1Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3247]
_cell_length_b [3.3247]
_cell_length_c [6.7418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ErScZnNi]
_chemical_formula_sum '[Er1 Sc1 Zn1 Ni1]'
_cell_volume [74.5228]
_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
[
  Er  Er0  1  0.5000  0.5000  0.1234  1.0
  Sc  Sc1  1  0.5000  0.5000  0.5913  1.0
  Zn  Zn2  1  0.0000  0.0000  0.8340  1.0
  Ni  Ni3  1  0.0000  0.0000  0.3793  1.0
]