data_[La16In6Co4]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [10.2660]
_cell_length_b [10.1295]
_cell_length_c [7.3060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [La8In3Co2]
_chemical_formula_sum '[La16 In6 Co4]'
_cell_volume [759.7474]
_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  4  0.1997  0.5461  0.2805  1
  La  La1  4  0.2053  0.8117  0.0128  1
  La  La2  2  0.0000  0.0347  0.7247  1
  La  La3  2  0.0000  0.0415  0.2685  1
  La  La4  2  0.0000  0.3479  0.9966  1
  La  La5  2  0.0000  0.6580  0.6468  1
  In  In6  4  0.2362  0.8520  0.4949  1
  In  In7  2  0.0000  0.3344  0.5216  1
  Co  Co8  2  0.0000  0.6268  0.0482  1
  Co  Co9  2  0.0000  0.7706  0.3402  1
]