data_[Ce2Sm2Co2]
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 [Pmmn]
_cell_length_a [4.6877]
_cell_length_b [5.1918]
_cell_length_c [6.0673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [CeSmCo]
_chemical_formula_sum '[Ce2 Sm2 Co2]'
_cell_volume [147.6630]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.9568  1.0
  Sm  Sm1  2  0.0000  0.0000  0.6002  1.0
  Co  Co2  2  0.0000  0.0000  0.1353  1.0
]