data_[Tm4Sc2Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2073]
_cell_length_b [15.7295]
_cell_length_c [5.2048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5342]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2ScAg6]
_chemical_formula_sum '[Tm4 Sc2 Ag12]'
_cell_volume [370.9260]
_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  4  0.0000  0.1644  0.5000  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Ag  Ag2  8  0.1686  0.3359  0.8360  1
  Ag  Ag3  4  0.1615  0.5000  0.3237  1
]