data_[Pr12Si2As4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6642]
_cell_length_b [4.2681]
_cell_length_c [8.5441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6SiAs2Cl3]
_chemical_formula_sum '[Pr12 Si2 As4 Cl6]'
_cell_volume [662.6677]
_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  0.0044  0.0000  0.2332  1.0
  Pr  Pr1  4  0.1583  0.5000  0.0919  1.0
  Pr  Pr2  4  0.1720  0.5000  0.5682  1.0
  Si  Si3  2  0.0000  0.5000  0.0000  1.0
  As  As4  4  0.1669  0.0000  0.3321  1.0
  Cl  Cl5  4  0.1663  0.0000  0.8316  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]