data_[Sm2Ag2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7017]
_cell_length_b [5.8813]
_cell_length_c [7.4276]
_cell_angle_alpha [112.4862]
_cell_angle_beta [112.5255]
_cell_angle_gamma [90.1552]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SmAgSe2]
_chemical_formula_sum '[Sm2 Ag2 Se4]'
_cell_volume [209.3034]
_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  1  0.0167  0.0238  0.0309  1.0
  Sm  Sm1  1  0.2602  0.7509  0.5191  1.0
  Ag  Ag2  1  0.4887  0.3769  0.9535  1.0
  Ag  Ag3  1  0.6921  0.3264  0.3957  1.0
  Se  Se4  1  0.0289  0.5205  0.0513  1.0
  Se  Se5  1  0.2526  0.2490  0.5028  1.0
  Se  Se6  1  0.4998  0.9313  0.9971  1.0
  Se  Se7  1  0.7825  0.8241  0.5625  1.0
]