data_[K4Mg2Pa4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1447]
_cell_length_b [12.3770]
_cell_length_c [8.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Mg(PaSe3)2]
_chemical_formula_sum '[K4 Mg2 Pa4 Se12]'
_cell_volume [698.6512]
_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  0.1658  0.0000  1
  Mg  Mg1  2  0.0000  0.0000  0.5000  1
  Pa  Pa2  4  0.0000  0.3350  0.5000  1
  Se  Se3  8  0.2314  0.1666  0.6994  1
  Se  Se4  4  0.2403  0.5000  0.6986  1
]