data_[Sm1Er1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7098]
_cell_length_b [18.4529]
_cell_length_c [7.4954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SmErSe3]
_chemical_formula_sum '[Sm1 Er1 Se3]'
_cell_volume [512.5512]
_cell_formula_units_Z [1]
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  1  0.1338  0.0000  0.0503  1
  Er  Er1  1  0.2181  0.0000  0.6278  1
  Se  Se2  2  0.6729  0.0935  0.8317  1
  Se  Se3  1  0.6784  0.0000  0.3465  1
]