data_[Cr2P16W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.4535]
_cell_length_b [3.1559]
_cell_length_c [12.9767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3659]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CrP8W3]
_chemical_formula_sum '[Cr2 P16 W6]'
_cell_volume [344.6838]
_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
[
  Cr  Cr0  2  0.4451  0.0000  0.6040  1.0
  P  P1  2  0.1204  0.5000  0.7544  1.0
  P  P2  2  0.1257  0.0000  0.2657  1.0
  P  P3  2  0.1499  0.0000  0.5542  1.0
  P  P4  2  0.1513  0.5000  0.0491  1.0
  P  P5  2  0.3484  0.0000  0.9457  1.0
  P  P6  2  0.3502  0.5000  0.4591  1.0
  P  P7  2  0.3765  0.5000  0.7289  1.0
  P  P8  2  0.3769  0.0000  0.2403  1.0
  W  W9  2  0.0538  0.0000  0.8926  1.0
  W  W10  2  0.0559  0.5000  0.4027  1.0
  W  W11  2  0.4459  0.5000  0.1034  1.0
]