data_[Tb4Ho6Sc2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7678]
_cell_length_b [4.0819]
_cell_length_c [8.1592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ho3ScAs6]
_chemical_formula_sum '[Tb4 Ho6 Sc2 As12]'
_cell_volume [575.8641]
_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  4  0.1654  0.0000  0.3315  1.0
  Ho  Ho1  4  0.1675  0.0000  0.8344  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.0014  0.0000  0.7599  1.0
  As  As5  4  0.1630  0.5000  0.0794  1.0
  As  As6  4  0.1662  0.5000  0.5847  1.0
]