data_[La4Ni1Sb1I2]
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
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0666]
_cell_length_b [4.2818]
_cell_length_c [8.1683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4NiSbI2]
_chemical_formula_sum '[La4 Ni1 Sb1 I2]'
_cell_volume [270.1597]
_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
[
  La  La0  2  0.2008  0.5000  0.1912  1
  La  La1  2  0.2449  0.0000  0.7831  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  1  0.5000  0.5000  0.0000  1
  I  I4  1  0.0000  0.5000  0.5000  1
  I  I5  1  0.5000  0.0000  0.5000  1
]