data_[Cr9P6]
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
]
_symmetry_space_group_name_H-M [P3_2]
_cell_length_a [17.1837]
_cell_length_b [17.1837]
_cell_length_c [7.4870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [145]
_chemical_formula_structural [Cr3P2]
_chemical_formula_sum '[Cr9 P6]'
_cell_volume [1914.5625]
_cell_formula_units_Z [3]
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  3  0.5565  0.2048  0.9812  1
  Cr  Cr1  3  0.5616  0.3389  0.5283  1
  Cr  Cr2  3  0.6382  0.2915  0.6961  1
  P  P3  3  0.5321  0.3166  0.8364  1
  P  P4  3  0.5570  0.2737  0.2605  1
]