data_[Ce4Sm4Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6444]
_cell_length_b [3.6339]
_cell_length_c [8.5017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.4176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeSmCo]
_chemical_formula_sum '[Ce4 Sm4 Co4]'
_cell_volume [285.7213]
_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
[
  Ce  Ce0  2  0.1416  0.5000  0.3841  1.0
  Ce  Ce1  2  0.2492  0.0000  0.1253  1.0
  Sm  Sm2  2  0.0055  0.0000  0.5879  1.0
  Sm  Sm3  2  0.3951  0.0000  0.8487  1.0
  Co  Co4  2  0.2006  0.5000  0.8952  1.0
  Co  Co5  2  0.4846  0.5000  0.1722  1.0
]