data_[K6Pr4Y2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2276]
_cell_length_b [12.5187]
_cell_length_c [7.7801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0569]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pr2YS6]
_chemical_formula_sum '[K6 Pr4 Y2 S12]'
_cell_volume [669.2751]
_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
[
  K  K0  4  0.0000  0.1674  0.5000  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3335  0.0000  1.0
  Y  Y3  2  0.0000  0.0000  0.0000  1.0
  S  S4  8  0.2308  0.1619  0.2065  1.0
  S  S5  4  0.2451  0.5000  0.2062  1.0
]