data_[Sr6Tb2Sm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3310]
_cell_length_b [12.7135]
_cell_length_c [7.5450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Tb(SmSe3)2]
_chemical_formula_sum '[Sr6 Tb2 Sm4 Se12]'
_cell_volume [665.2286]
_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
[
  Sr  Sr0  4  0.0000  0.1679  0.5000  1.0
  Sr  Sr1  2  0.0000  0.5000  0.5000  1.0
  Tb  Tb2  2  0.0000  0.0000  0.0000  1.0
  Sm  Sm3  4  0.0000  0.3340  0.0000  1.0
  Se  Se4  8  0.2429  0.8354  0.2351  1.0
  Se  Se5  4  0.2499  0.5000  0.2361  1.0
]