data_[In4Ni16B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3961]
_cell_length_b [5.3244]
_cell_length_c [11.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [InNi4B]
_chemical_formula_sum '[In4 Ni16 B4]'
_cell_volume [277.1631]
_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
[
  In  In0  4  0.0000  0.0000  0.1997  1.0
  Ni  Ni1  8  0.0000  0.2568  0.3904  1.0
  Ni  Ni2  4  0.0000  0.2233  0.0000  1.0
  Ni  Ni3  4  0.0000  0.5000  0.1685  1.0
  B  B4  4  0.2018  0.0000  0.5000  1.0
]