data_[Sr2Sm2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6957]
_cell_length_b [4.1325]
_cell_length_c [9.1299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrSmCuSe3]
_chemical_formula_sum '[Sr2 Sm2 Cu2 Se6]'
_cell_volume [319.5044]
_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  2  0.1844  0.2500  0.2376  1.0
  Sm  Sm1  2  0.3264  0.7500  0.8300  1.0
  Cu  Cu2  2  0.0806  0.2500  0.5836  1.0
  Se  Se3  2  0.0991  0.2500  0.8621  1.0
  Se  Se4  2  0.2165  0.7500  0.5081  1.0
  Se  Se5  2  0.4330  0.7500  0.1661  1.0
]