data_[K4Pm4Zr2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9932]
_cell_length_b [11.9614]
_cell_length_c [7.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Pm2ZrS6]
_chemical_formula_sum '[K4 Pm4 Zr2 S12]'
_cell_volume [630.1146]
_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  0.1697  0.0000  1
  Pm  Pm1  4  0.0000  0.3338  0.5000  1
  Zr  Zr2  2  0.0000  0.0000  0.5000  1
  S  S3  8  0.2218  0.1563  0.6969  1
  S  S4  4  0.2409  0.0000  0.3042  1
]