data_[Tm2Be12Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4142]
_cell_length_b [8.0146]
_cell_length_c [8.0302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm(BeCu)6]
_chemical_formula_sum '[Tm2 Be12 Cu12]'
_cell_volume [284.0926]
_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  2  0.0000  0.0000  0.0000  1.0
  Be  Be1  8  0.2500  0.2500  0.2500  1.0
  Be  Be2  4  0.0000  0.2621  0.5000  1.0
  Cu  Cu3  4  0.0000  0.0000  0.3515  1.0
  Cu  Cu4  4  0.0000  0.3488  0.0000  1.0
  Cu  Cu5  4  0.0000  0.5000  0.2955  1.0
]