data_[Pr12Sb4Te2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [19.3198]
_cell_length_b [4.4080]
_cell_length_c [8.9203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6Sb2TeAs3]
_chemical_formula_sum '[Pr12 Sb4 Te2 As6]'
_cell_volume [737.5270]
_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
[
  Pr  Pr0  4  0.0037  0.0000  0.7350  1.0
  Pr  Pr1  4  0.1639  0.5000  0.5917  1.0
  Pr  Pr2  4  0.1721  0.5000  0.0751  1.0
  Sb  Sb3  4  0.1661  0.0000  0.3319  1.0
  Te  Te4  2  0.0000  0.5000  0.0000  1.0
  As  As5  4  0.1660  0.0000  0.8335  1.0
  As  As6  2  0.0000  0.5000  0.5000  1.0
]