data_[Tm1Sc1Zn1Ni1]
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
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.3346]
_cell_length_b [3.3346]
_cell_length_c [6.7544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [TmScZnNi]
_chemical_formula_sum '[Tm1 Sc1 Zn1 Ni1]'
_cell_volume [75.1050]
_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  1  0.5000  0.5000  0.1242  1.0
  Sc  Sc1  1  0.5000  0.5000  0.5904  1.0
  Zn  Zn2  1  0.0000  0.0000  0.8363  1.0
  Ni  Ni3  1  0.0000  0.0000  0.3770  1.0
]