data_[Tm4Sc12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8744]
_cell_length_b [7.6838]
_cell_length_c [7.3829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.2656]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSc3Ni]
_chemical_formula_sum '[Tm4 Sc12 Ni4]'
_cell_volume [470.7183]
_cell_formula_units_Z [4]
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  0.0380  0.0000  0.3051  1.0
  Sc  Sc1  8  0.2161  0.3002  0.7545  1.0
  Sc  Sc2  4  0.0675  0.5000  0.2696  1.0
  Ni  Ni3  4  0.2296  0.5000  0.0873  1.0
]