data_[Sm12Er4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [17.1713]
_cell_length_b [3.5246]
_cell_length_c [11.2221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3ErSc]
_chemical_formula_sum '[Sm12 Er4 Sc4]'
_cell_volume [627.7557]
_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
[
  Sm  Sm0  4  0.0686  0.0000  0.9225  1.0
  Sm  Sm1  4  0.1564  0.0000  0.5328  1.0
  Sm  Sm2  4  0.2246  0.5000  0.8450  1.0
  Er  Er3  4  0.1205  0.5000  0.2307  1.0
  Sc  Sc4  4  0.0239  0.5000  0.6442  1.0
]