data_[La12Er4Co8]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7726]
_cell_length_b [4.0549]
_cell_length_c [12.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3ErCo2]
_chemical_formula_sum '[La12 Er4 Co8]'
_cell_volume [685.7941]
_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  0.0585  0.0000  0.1926  1
  La  La1  4  0.1806  0.0000  0.5544  1
  La  La2  4  0.1936  0.5000  0.0639  1
  Er  Er3  4  0.0606  0.5000  0.6935  1
  Co  Co4  4  0.1244  0.5000  0.3755  1
  Co  Co5  4  0.1261  0.0000  0.8728  1
]