data_[Tm4In5Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6233]
_cell_length_b [3.5289]
_cell_length_c [9.4122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4In5Ni2]
_chemical_formula_sum '[Tm4 In5 Ni2]'
_cell_volume [252.3442]
_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  0.1810  0.5000  0.8435  1.0
  Tm  Tm1  2  0.2100  0.5000  0.4385  1.0
  In  In2  2  0.1632  0.0000  0.1455  1.0
  In  In3  2  0.4533  0.0000  0.6692  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Ni  Ni5  2  0.0717  0.0000  0.6309  1.0
]