data_[Tm4Sc6Cu4]
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 [C2/m]
_cell_length_a [10.2831]
_cell_length_b [4.6153]
_cell_length_c [7.3556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5590]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Sc3Cu2]
_chemical_formula_sum '[Tm4 Sc6 Cu4]'
_cell_volume [314.9371]
_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  0.1339  0.0000  0.7859  1.0
  Sc  Sc1  4  0.1404  0.5000  0.4626  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0000  1.0
  Cu  Cu3  4  0.1405  0.0000  0.1838  1.0
]