data_[Tm2Zn7Ni1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9817]
_cell_length_b [3.9817]
_cell_length_c [10.9823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Tm2Zn7Ni]
_chemical_formula_sum '[Tm2 Zn7 Ni1]'
_cell_volume [174.1115]
_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  2  0.0000  0.5000  0.2387  1
  Zn  Zn1  2  0.0000  0.5000  0.6450  1
  Zn  Zn2  2  0.0000  0.5000  0.8667  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  1  0.0000  0.0000  0.5000  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
  Ni  Ni6  1  0.5000  0.5000  0.0000  1
]