data_[Al2Ni2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8700]
_cell_length_b [5.8782]
_cell_length_c [18.7598]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [AlNiAs2]
_chemical_formula_sum '[Al2 Ni2 As4]'
_cell_volume [426.7572]
_cell_formula_units_Z [2]
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
[
  Al  Al0  2  0.0000  0.2519  0.4866  1
  Ni  Ni1  1  0.5000  0.0000  0.5124  1
  Ni  Ni2  1  0.5000  0.5000  0.5113  1
  As  As3  2  0.5000  0.2359  0.4006  1
  As  As4  1  0.0000  0.0000  0.6010  1
  As  As5  1  0.0000  0.5000  0.6010  1
]