data_[K2Zr1Bi1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1245]
_cell_length_b [3.9401]
_cell_length_c [7.6504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2ZrBiS4]
_chemical_formula_sum '[K2 Zr1 Bi1 S4]'
_cell_volume [205.6132]
_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
  Zr  Zr2  1  0.5000  0.5000  0.0000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  S  S4  2  0.2541  0.5000  0.2044  1
  S  S5  2  0.2812  0.0000  0.8029  1
]