data_[K2Mo6P6]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9294]
_cell_length_b [4.3619]
_cell_length_c [9.3637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4360]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [K(MoP)3]
_chemical_formula_sum '[K2 Mo6 P6]'
_cell_volume [323.6927]
_cell_formula_units_Z [2]
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  2  0.3001  0.2500  0.6180  1
  Mo  Mo1  2  0.0318  0.2500  0.1495  1
  Mo  Mo2  2  0.1707  0.2500  0.9430  1
  Mo  Mo3  2  0.2168  0.7500  0.1644  1
  P  P4  2  0.0661  0.7500  0.3285  1
  P  P5  2  0.2781  0.7500  0.9208  1
  P  P6  2  0.3488  0.2500  0.2534  1
]