data_[Er2Tm4Ag6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [C2/m]
_cell_length_a [17.6580]
_cell_length_b [4.1262]
_cell_length_c [8.0662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4019]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErTm2(AgSe2)3]
_chemical_formula_sum '[Er2 Tm4 Ag6 Se12]'
_cell_volume [576.1120]
_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
[
  Er  Er0  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm1  4  0.1669  0.0000  0.3335  1.0
  Ag  Ag2  4  0.1663  0.0000  0.8334  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0022  0.0000  0.2467  1.0
  Se  Se5  4  0.1652  0.5000  0.0885  1.0
  Se  Se6  4  0.1686  0.5000  0.5785  1.0
]