data_[Y2Tm28Sc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [11.2317]
_cell_length_b [6.9976]
_cell_length_c [12.1184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [YTm14Sc]
_chemical_formula_sum '[Y2 Tm28 Sc2]'
_cell_volume [952.4519]
_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
[
  Y  Y0  2  0.5000  0.0000  0.7088  1
  Tm  Tm1  8  0.2514  0.2482  0.1252  1
  Tm  Tm2  4  0.0000  0.2491  0.2917  1
  Tm  Tm3  4  0.2475  0.0000  0.8754  1
  Tm  Tm4  4  0.2533  0.0000  0.3740  1
  Tm  Tm5  4  0.5000  0.2487  0.9581  1
  Tm  Tm6  2  0.0000  0.0000  0.0424  1
  Tm  Tm7  2  0.0000  0.0000  0.5416  1
  Sc  Sc8  2  0.5000  0.0000  0.2079  1
]