data_[Y4Tm4Cu4]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6982]
_cell_length_b [3.4364]
_cell_length_c [6.9210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9018]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YTmCu]
_chemical_formula_sum '[Y4 Tm4 Cu4]'
_cell_volume [290.4503]
_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
[
  Y  Y0  4  0.1382  0.0000  0.5688  1.0
  Tm  Tm1  4  0.1383  0.0000  0.0691  1.0
  Cu  Cu2  4  0.0014  0.5000  0.2326  1.0
]