data_[La8Er8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2276]
_cell_length_b [5.5498]
_cell_length_c [9.6935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Er2In]
_chemical_formula_sum '[La8 Er8 In4]'
_cell_volume [635.6871]
_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
[
  La  La0  4  0.0243  0.0000  0.3357  1.0
  La  La1  4  0.1641  0.0000  0.0519  1.0
  Er  Er2  4  0.0227  0.5000  0.8451  1.0
  Er  Er3  4  0.1489  0.5000  0.5563  1.0
  In  In4  4  0.2445  0.5000  0.2725  1.0
]