data_[Tm4Tl5Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7746]
_cell_length_b [3.5563]
_cell_length_c [9.4755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7826]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Tl5Ni2]
_chemical_formula_sum '[Tm4 Tl5 Ni2]'
_cell_volume [261.0768]
_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  2  0.1874  0.5000  0.8356  1.0
  Tm  Tm1  2  0.2034  0.5000  0.4330  1.0
  Tl  Tl2  2  0.1494  0.0000  0.1397  1.0
  Tl  Tl3  2  0.4549  0.0000  0.6629  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0736  0.0000  0.6268  1.0
]