data_[K2Y1Bi1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Y  1.2200  1.8000  1.0400
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9163]
_cell_length_b [4.5516]
_cell_length_c [8.6532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2YBiTe4]
_chemical_formula_sum '[K2 Y1 Bi1 Te4]'
_cell_volume [297.2377]
_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  1.0
  K  K1  1  0.5000  0.0000  0.5000  1.0
  Y  Y2  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.0000  0.0000  1.0
  Te  Te4  2  0.2421  0.5000  0.2105  1.0
  Te  Te5  2  0.2684  0.0000  0.7919  1.0
]