data_[Sm2Cr2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6759]
_cell_length_b [7.0040]
_cell_length_c [7.5548]
_cell_angle_alpha [87.2121]
_cell_angle_beta [88.0770]
_cell_angle_gamma [83.8487]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmCrSe4]
_chemical_formula_sum '[Sm2 Cr2 Se8]'
_cell_volume [350.6523]
_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
[
  Sm  Sm0  2  0.2013  0.7042  0.0507  1
  Cr  Cr1  2  0.3042  0.2572  0.8085  1
  Se  Se2  2  0.0918  0.5213  0.7301  1
  Se  Se3  2  0.1065  0.0168  0.7722  1
  Se  Se4  2  0.3778  0.2781  0.0982  1
  Se  Se5  2  0.4241  0.7640  0.3690  1
]