data_[K1Mo1H2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mo  2.1600  1.4500  0.7750
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7677]
_cell_length_b [7.3812]
_cell_length_c [7.8269]
_cell_angle_alpha [71.0115]
_cell_angle_beta [85.8243]
_cell_angle_gamma [84.6557]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMo(HCl4)2]
_chemical_formula_sum '[K1 Mo1 H2 Cl8]'
_cell_volume [367.7246]
_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
  Mo  Mo1  1  0.0000  0.0000  0.0000  1.0
  H  H2  2  0.3042  0.7995  0.6669  1.0
  Cl  Cl3  2  0.1619  0.0621  0.7046  1.0
  Cl  Cl4  2  0.1659  0.6895  0.0925  1.0
  Cl  Cl5  2  0.2588  0.1194  0.0932  1.0
  Cl  Cl6  2  0.3832  0.6441  0.6339  1.0
]