data_[Ac2Tm2Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Tm  1.2500  1.7500  1.0950
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.1529]
_cell_length_b [5.1529]
_cell_length_c [8.7094]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [AcTmNi4]
_chemical_formula_sum '[Ac2 Tm2 Ni8]'
_cell_volume [200.2722]
_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
[
  Ac  Ac0  2  0.3333  0.6667  0.0840  1
  Tm  Tm1  2  0.3333  0.6667  0.4511  1
  Ni  Ni2  6  0.1648  0.3296  0.7304  1
  Ni  Ni3  1  0.0000  0.0000  0.0000  1
  Ni  Ni4  1  0.0000  0.0000  0.5000  1
]