data_[Y8Tm2Sc4]
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 [P1]
_cell_length_a [6.1350]
_cell_length_b [8.2404]
_cell_length_c [8.9693]
_cell_angle_alpha [95.7053]
_cell_angle_beta [90.0215]
_cell_angle_gamma [111.8187]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Y4TmSc2]
_chemical_formula_sum '[Y8 Tm2 Sc4]'
_cell_volume [418.5267]
_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  1  0.1280  0.1984  0.2733  1
  Y  Y1  1  0.2312  0.0550  0.9078  1
  Y  Y2  1  0.2775  0.4824  0.9820  1
  Y  Y3  1  0.4118  0.7603  0.6916  1
  Y  Y4  1  0.5202  0.6232  0.3423  1
  Y  Y5  1  0.5593  0.0611  0.4132  1
  Y  Y6  1  0.8029  0.1980  0.7658  1
  Y  Y7  1  0.8373  0.6219  0.8337  1
  Tm  Tm8  1  0.0791  0.7623  0.2007  1
  Tm  Tm9  1  0.6538  0.9162  0.0557  1
  Sc  Sc10  1  0.3613  0.3353  0.6220  1
  Sc  Sc11  1  0.7073  0.3406  0.1291  1
  Sc  Sc12  1  0.9378  0.4842  0.4805  1
  Sc  Sc13  1  0.9926  0.9110  0.5521  1
]