data_[Tb3Sm1Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7495]
_cell_length_b [4.2713]
_cell_length_c [10.2052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb3SmNi4]
_chemical_formula_sum '[Tb3 Sm1 Ni4]'
_cell_volume [163.4400]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.1360  1.0
  Tb  Tb1  1  0.0000  0.5000  0.8618  1.0
  Tb  Tb2  1  0.5000  0.0000  0.6392  1.0
  Sm  Sm3  1  0.5000  0.5000  0.3614  1.0
  Ni  Ni4  1  0.0000  0.0000  0.4273  1.0
  Ni  Ni5  1  0.0000  0.5000  0.5751  1.0
  Ni  Ni6  1  0.5000  0.0000  0.9267  1.0
  Ni  Ni7  1  0.5000  0.5000  0.0726  1.0
]