data_[Tm4Sc4Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3751]
_cell_length_b [24.7847]
_cell_length_c [4.2556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmScCu3]
_chemical_formula_sum '[Tm4 Sc4 Cu12]'
_cell_volume [355.9804]
_cell_formula_units_Z [4]
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  0.0749  0.7500  1
  Sc  Sc1  4  0.0000  0.2080  0.2500  1
  Cu  Cu2  4  0.0000  0.3226  0.2500  1
  Cu  Cu3  4  0.0000  0.3779  0.7500  1
  Cu  Cu4  4  0.0000  0.4761  0.7500  1
]