data_[Ce4Er12Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5680]
_cell_length_b [4.8330]
_cell_length_c [6.8912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeEr3Sc]
_chemical_formula_sum '[Ce4 Er12 Sc4]'
_cell_volume [573.1766]
_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  4  0.2027  0.0000  0.3603  1.0
  Er  Er1  4  0.0009  0.0000  0.2529  1.0
  Er  Er2  4  0.1011  0.5000  0.0539  1.0
  Er  Er3  4  0.1978  0.0000  0.8440  1.0
  Sc  Sc4  4  0.0988  0.5000  0.5453  1.0
]