data_[K2Ho1Sn1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ho  1.2300  1.7500  1.0410
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3488]
_cell_length_b [4.1769]
_cell_length_c [8.0569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2153]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2HoSnSe4]
_chemical_formula_sum '[K2 Ho1 Sn1 Se4]'
_cell_volume [236.2277]
_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  0.0000  0.0000  0.0000  1
  K  K1  1  0.5000  0.5000  0.0000  1
  Ho  Ho2  1  0.5000  0.0000  0.5000  1
  Sn  Sn3  1  0.0000  0.5000  0.5000  1
  Se  Se4  2  0.2381  0.0000  0.7037  1
  Se  Se5  2  0.2674  0.5000  0.2968  1
]