data_[Na4Ni4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1890]
_cell_length_b [3.8093]
_cell_length_c [6.1303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3918]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaNiAs]
_chemical_formula_sum '[Na4 Ni4 As4]'
_cell_volume [236.0465]
_cell_formula_units_Z [4]
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
[
  Na  Na0  2  0.1797  0.0000  0.7737  1.0
  Na  Na1  2  0.4495  0.5000  0.1821  1.0
  Ni  Ni2  2  0.1656  0.5000  0.1710  1.0
  Ni  Ni3  2  0.3644  0.5000  0.5879  1.0
  As  As4  2  0.2656  0.0000  0.3480  1.0
  As  As5  2  0.4756  0.0000  0.8215  1.0
]