data_[Ce2Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.4168]
_cell_length_b [5.2862]
_cell_length_c [5.6787]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSc]
_chemical_formula_sum '[Ce2 Sc2]'
_cell_volume [102.2949]
_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  0.1598  0.7500  0.4466  1.0
  Sc  Sc1  2  0.2939  0.2500  0.0702  1.0
]