data_[Sc12Sb4Te2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5433]
_cell_length_b [4.0007]
_cell_length_c [8.0955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc6Sb2TeAs3]
_chemical_formula_sum '[Sc12 Sb4 Te2 As6]'
_cell_volume [551.4613]
_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
[
  Sc  Sc0  4  0.0044  0.0000  0.7308  1.0
  Sc  Sc1  4  0.1621  0.5000  0.5954  1.0
  Sc  Sc2  4  0.1736  0.5000  0.0727  1.0
  Sb  Sb3  4  0.1666  0.0000  0.3330  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1657  0.0000  0.8337  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]