data_[Tm4Sc6Ni4]
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 [10.4756]
_cell_length_b [4.4270]
_cell_length_c [7.1209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Sc3Ni2]
_chemical_formula_sum '[Tm4 Sc6 Ni4]'
_cell_volume [300.2592]
_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  0.1407  0.0000  0.8038  1.0
  Sc  Sc1  4  0.1401  0.5000  0.4586  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0000  1.0
  Ni  Ni3  4  0.1348  0.0000  0.2036  1.0
]