data_[K2Tb1Cr1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tb  1.1000  1.7500  0.9815
  Cr  1.6600  1.4000  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9754]
_cell_length_b [4.0596]
_cell_length_c [7.9925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2TbCrSe4]
_chemical_formula_sum '[K2 Tb1 Cr1 Se4]'
_cell_volume [216.0828]
_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  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Tb  Tb2  1  0.0000  0.0000  0.0000  1
  Cr  Cr3  1  0.5000  0.5000  0.0000  1
  Se  Se4  2  0.2570  0.5000  0.2002  1
  Se  Se5  2  0.2953  0.0000  0.8138  1
]