data_[Tm6Mg2Sc8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6946]
_cell_length_b [8.1291]
_cell_length_c [9.8777]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Tm3MgSc4]
_chemical_formula_sum '[Tm6 Mg2 Sc8]'
_cell_volume [457.2624]
_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
[
  Tm  Tm0  4  0.0000  0.2007  0.4166  1
  Tm  Tm1  2  0.0000  0.0000  0.0697  1
  Mg  Mg2  2  0.0000  0.5000  0.9910  1
  Sc  Sc3  4  0.0000  0.3275  0.7280  1
  Sc  Sc4  4  0.2414  0.0000  0.7496  1
]