data_[Tm4Si1Ni3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8493]
_cell_length_b [3.9297]
_cell_length_c [10.1336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tm4SiNi3]
_chemical_formula_sum '[Tm4 Si1 Ni3]'
_cell_volume [153.2865]
_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  0.0000  0.0000  0.1436  1.0
  Tm  Tm1  1  0.0000  0.5000  0.8554  1.0
  Tm  Tm2  1  0.5000  0.0000  0.6419  1.0
  Tm  Tm3  1  0.5000  0.5000  0.3622  1.0
  Si  Si4  1  0.5000  0.5000  0.0681  1.0
  Ni  Ni5  1  0.0000  0.0000  0.4287  1.0
  Ni  Ni6  1  0.0000  0.5000  0.5699  1.0
  Ni  Ni7  1  0.5000  0.0000  0.9301  1.0
]