data_[Sm2Y2Sc4As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.1774]
_cell_length_b [4.1774]
_cell_length_c [15.6372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SmY(ScAs)2]
_chemical_formula_sum '[Sm2 Y2 Sc4 As4]'
_cell_volume [272.8822]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.3221  1
  Y  Y1  2  0.0000  0.0000  0.6775  1
  Sc  Sc2  4  0.0000  0.5000  0.0004  1
  As  As3  2  0.0000  0.0000  0.1270  1
  As  As4  2  0.0000  0.0000  0.8726  1
]