data_[Tm1Sc1Ga2Cu5]
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
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9980]
_cell_length_b [3.9980]
_cell_length_c [9.1273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TmScGa2Cu5]
_chemical_formula_sum '[Tm1 Sc1 Ga2 Cu5]'
_cell_volume [145.8926]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Sc  Sc1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  2  0.5000  0.5000  0.1334  1
  Cu  Cu3  4  0.0000  0.5000  0.2843  1
  Cu  Cu4  1  0.5000  0.5000  0.5000  1
]