data_[Sm4Ho1Er2Sc1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1429]
_cell_length_b [3.5426]
_cell_length_c [11.6829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0997]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4HoEr2Sc]
_chemical_formula_sum '[Sm4 Ho1 Er2 Sc1]'
_cell_volume [250.3034]
_cell_formula_units_Z [1]
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  2  0.2497  0.0000  0.7478  1.0
  Sm  Sm1  2  0.2533  0.5000  0.2555  1.0
  Ho  Ho2  1  0.5000  0.5000  0.0000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  Er  Er4  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc5  1  0.5000  0.0000  0.5000  1.0
]