data_[Sr2Sm2Mn2Se8]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9921]
_cell_length_b [6.4236]
_cell_length_c [8.5962]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrSmMnSe4]
_chemical_formula_sum '[Sr2 Sm2 Mn2 Se8]'
_cell_volume [368.6770]
_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  0.2575  0.2500  0.0617  1
  Sm  Sm1  2  0.2473  0.2500  0.5601  1
  Mn  Mn2  2  0.2391  0.7500  0.3174  1
  Se  Se3  4  0.0137  0.5104  0.7356  1
  Se  Se4  2  0.4273  0.7500  0.1247  1
  Se  Se5  2  0.4282  0.7500  0.5994  1
]