data_[Ce2Sm2Sc2]
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
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9861]
_cell_length_b [5.4799]
_cell_length_c [6.0360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1235]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSmSc]
_chemical_formula_sum '[Ce2 Sm2 Sc2]'
_cell_volume [174.6223]
_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  0.3681  0.2500  0.8790  1
  Sm  Sm1  2  0.2986  0.7500  0.4820  1
  Sc  Sc2  2  0.0122  0.2500  0.1689  1
]