data_[Sr2Tm2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.3868]
_cell_length_b [4.1566]
_cell_length_c [9.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6498]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTmAgSe3]
_chemical_formula_sum '[Sr2 Tm2 Ag2 Se6]'
_cell_volume [315.1717]
_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  0.2021  0.2500  0.2473  1.0
  Tm  Tm1  2  0.3230  0.7500  0.8362  1.0
  Ag  Ag2  2  0.0912  0.2500  0.5883  1.0
  Se  Se3  2  0.0990  0.2500  0.8729  1.0
  Se  Se4  2  0.2653  0.7500  0.5214  1.0
  Se  Se5  2  0.4395  0.7500  0.1523  1.0
]