data_[La6Cr3Ni27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9316]
_cell_length_b [4.9316]
_cell_length_c [24.8494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2CrNi9]
_chemical_formula_sum '[La6 Cr3 Ni27]'
_cell_volume [523.3799]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1337  1
  Cr  Cr1  3  0.0000  0.0000  0.0000  1
  Ni  Ni2  18  0.0008  0.5004  0.0782  1
  Ni  Ni3  6  0.0000  0.0000  0.3327  1
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1
]