data_[Tm4Al4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4542]
_cell_length_b [4.5416]
_cell_length_c [7.0681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAlAg]
_chemical_formula_sum '[Tm4 Al4 Ag4]'
_cell_volume [253.4783]
_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
[
  Tm  Tm0  4  0.0384  0.5000  0.2936  1
  Al  Al1  4  0.1617  0.0000  0.1131  1
  Ag  Ag2  4  0.1729  0.0000  0.7200  1
]