data_[Tm2Ag2P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-31c]
_cell_length_a [6.6293]
_cell_length_b [6.6293]
_cell_length_c [14.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [163]
_chemical_formula_structural [TmAg(PSe3)2]
_chemical_formula_sum '[Tm2 Ag2 P4 Se12]'
_cell_volume [541.7262]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.2500  1
  Ag  Ag1  2  0.3333  0.6667  0.7500  1
  P  P2  4  0.3333  0.6667  0.1700  1
  Se  Se3  12  0.0218  0.3415  0.1230  1
]