data_[K1Pm1Sn2Te4]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0056]
_cell_length_b [4.5665]
_cell_length_c [8.0192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KPm(SnTe2)2]
_chemical_formula_sum '[K1 Pm1 Sn2 Te4]'
_cell_volume [278.3888]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Pm  Pm1  1  0.0000  0.0000  0.0000  1
  Sn  Sn2  1  0.0000  0.5000  0.5000  1
  Sn  Sn3  1  0.5000  0.0000  0.5000  1
  Te  Te4  2  0.2260  0.0000  0.7387  1
  Te  Te5  2  0.2344  0.5000  0.2520  1
]