data_[Tb2Tm4Sc6P12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7181]
_cell_length_b [11.6317]
_cell_length_c [6.7029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4701]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTm2(ScP2)3]
_chemical_formula_sum '[Tb2 Tm4 Sc6 P12]'
_cell_volume [493.8326]
_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
[
  Tb  Tb0  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0000  0.3332  0.0000  1.0
  Sc  Sc2  4  0.0000  0.1660  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  P  P4  8  0.2441  0.3319  0.7366  1.0
  P  P5  4  0.2486  0.0000  0.7370  1.0
]