data_[Cr12P7]
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 [P-6]
_cell_length_a [9.0182]
_cell_length_b [9.0182]
_cell_length_c [3.2151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [174]
_chemical_formula_structural [Cr12P7]
_chemical_formula_sum '[Cr12 P7]'
_cell_volume [226.4433]
_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
[
  Cr  Cr0  3  0.0157  0.7513  0.0000  1.0
  Cr  Cr1  3  0.1320  0.5079  0.0000  1.0
  Cr  Cr2  3  0.2227  0.0166  0.5000  1.0
  Cr  Cr3  3  0.5093  0.3691  0.5000  1.0
  P  P4  3  0.1691  0.7116  0.5000  1.0
  P  P5  3  0.4488  0.1598  0.0000  1.0
  P  P6  1  0.0000  0.0000  0.0000  1.0
]