data_[La4Ni36As16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.9906]
_cell_length_b [7.9906]
_cell_length_c [11.9005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [LaNi9As4]
_chemical_formula_sum '[La4 Ni36 As16]'
_cell_volume [759.8379]
_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
[
  La  La0  4  0.0000  0.0000  0.2500  1
  Ni  Ni1  16  0.0730  0.2024  0.0000  1
  Ni  Ni2  16  0.1273  0.3727  0.1835  1
  Ni  Ni3  4  0.0000  0.5000  0.0000  1
  As  As4  16  0.1710  0.3290  0.3766  1
]