data_[Y2Tm2Cu8]
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 [Imm2]
_cell_length_a [4.2789]
_cell_length_b [6.7955]
_cell_length_c [7.3071]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YTmCu4]
_chemical_formula_sum '[Y2 Tm2 Cu8]'
_cell_volume [212.4698]
_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
[
  Y  Y0  2  0.0000  0.5000  0.5461  1
  Tm  Tm1  2  0.0000  0.0000  0.4561  1
  Cu  Cu2  4  0.0000  0.1985  0.8349  1
  Cu  Cu3  4  0.0000  0.3035  0.1640  1
]