data_[Sm28In4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1500]
_cell_length_b [13.8213]
_cell_length_c [24.8999]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm7InSe5]
_chemical_formula_sum '[Sm28 In4 Se20]'
_cell_volume [1428.2162]
_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
[
  Sm  Sm0  8  0.0000  0.1375  0.5359  1
  Sm  Sm1  8  0.0000  0.3173  0.1763  1
  Sm  Sm2  8  0.0000  0.4077  0.6128  1
  Sm  Sm3  4  0.0000  0.0198  0.2500  1
  In  In4  4  0.0000  0.3073  0.7500  1
  Se  Se5  8  0.0000  0.0486  0.6408  1
  Se  Se6  8  0.0000  0.2253  0.0714  1
  Se  Se7  4  0.0000  0.5000  0.0000  1
]