data_[Tm4Al1Ag3]
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 [Pmm2]
_cell_length_a [3.6069]
_cell_length_b [4.7128]
_cell_length_c [11.2242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4AlAg3]
_chemical_formula_sum '[Tm4 Al1 Ag3]'
_cell_volume [190.7972]
_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  0.1535  1.0
  Tm  Tm1  1  0.0000  0.5000  0.8468  1.0
  Tm  Tm2  1  0.5000  0.0000  0.6450  1.0
  Tm  Tm3  1  0.5000  0.5000  0.3527  1.0
  Al  Al4  1  0.5000  0.5000  0.0755  1.0
  Ag  Ag5  1  0.0000  0.0000  0.4221  1.0
  Ag  Ag6  1  0.0000  0.5000  0.5792  1.0
  Ag  Ag7  1  0.5000  0.0000  0.9251  1.0
]