data_[Tb8Sm6Mg2]
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
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3660]
_cell_length_b [7.1596]
_cell_length_c [6.2571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Tb4Sm3Mg]
_chemical_formula_sum '[Tb8 Sm6 Mg2]'
_cell_volume [509.1783]
_cell_formula_units_Z [2]
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  4  0.2440  0.3731  0.0165  1.0
  Tb  Tb1  2  0.0000  0.3755  0.3610  1.0
  Tb  Tb2  2  0.0000  0.8705  0.3669  1.0
  Sm  Sm3  4  0.2451  0.8789  0.0278  1.0
  Sm  Sm4  2  0.0000  0.6206  0.8417  1.0
  Mg  Mg5  2  0.0000  0.1239  0.8569  1.0
]