data_[Sr2Zn1Ni1N1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.4512]
_cell_length_b [5.4512]
_cell_length_c [3.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Sr2ZnNiN]
_chemical_formula_sum '[Sr2 Zn1 Ni1 N1]'
_cell_volume [107.4432]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1
  Zn  Zn1  1  0.5000  0.5000  0.5000  1
  Ni  Ni2  1  0.0000  0.0000  0.5000  1
  N  N3  1  0.0000  0.0000  0.0000  1
]