data_[La6In2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [7.1800]
_cell_length_b [5.4896]
_cell_length_c [7.5647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [La3InNi]
_chemical_formula_sum '[La6 In2 Ni2]'
_cell_volume [297.0998]
_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
[
  La  La0  1  0.1317  0.0000  0.3622  1.0
  La  La1  1  0.3516  0.5000  0.0143  1.0
  La  La2  1  0.5346  0.5000  0.4994  1.0
  La  La3  1  0.5976  0.0000  0.8166  1.0
  La  La4  1  0.8588  0.5000  0.1117  1.0
  La  La5  1  0.9836  0.5000  0.6454  1.0
  In  In6  1  0.0766  0.0000  0.8746  1.0
  In  In7  1  0.6035  0.0000  0.2474  1.0
  Ni  Ni8  1  0.1794  0.5000  0.3310  1.0
  Ni  Ni9  1  0.8058  0.0000  0.5541  1.0
]