data_[Tm16Tc4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tc  1.9000  1.3500  0.7417
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2998]
_cell_length_b [12.5010]
_cell_length_c [5.7652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm8Tc2Ni]
_chemical_formula_sum '[Tm16 Tc4 Ni2]'
_cell_volume [559.0963]
_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  4  0.2039  0.1295  0.6167  1
  Tm  Tm1  4  0.2823  0.3685  0.4102  1
  Tm  Tm2  4  0.4946  0.2919  0.0084  1
  Tm  Tm3  2  0.1374  0.5000  0.8171  1
  Tm  Tm4  2  0.3650  0.0000  0.2091  1
  Tc  Tc5  4  0.4979  0.1912  0.5236  1
  Ni  Ni6  2  0.0064  0.0000  0.8563  1
]