data_[Tm4Mn4Si12Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9238]
_cell_length_b [12.9089]
_cell_length_c [5.4249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TmMnSi3Ni]
_chemical_formula_sum '[Tm4 Mn4 Si12 Ni4]'
_cell_volume [414.8389]
_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  0.0000  0.2958  0.7500  1
  Mn  Mn1  4  0.0000  0.0485  0.2500  1
  Si  Si2  8  0.2028  0.5000  0.0000  1
  Si  Si3  4  0.0000  0.2174  0.2500  1
  Ni  Ni4  4  0.0000  0.3853  0.2500  1
]