data_[Cu9P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.2143]
_cell_length_b [17.6267]
_cell_length_c [17.6267]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu3P]
_chemical_formula_sum '[Cu9 P3]'
_cell_volume [1672.1098]
_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
[
  Cu  Cu0  1  0.0600  0.4962  0.5644  1
  Cu  Cu1  1  0.1373  0.5999  0.5022  1
  Cu  Cu2  1  0.1443  0.4342  0.3990  1
  Cu  Cu3  1  0.4059  0.4186  0.4990  1
  Cu  Cu4  1  0.4773  0.3570  0.3456  1
  Cu  Cu5  1  0.4947  0.5187  0.4356  1
  Cu  Cu6  1  0.7042  0.4790  0.6099  1
  Cu  Cu7  1  0.7674  0.5932  0.5562  1
  Cu  Cu8  1  0.7778  0.4227  0.4518  1
  P  P9  1  0.3685  0.5325  0.6395  1
  P  P10  1  0.4182  0.6258  0.5891  1
  P  P11  1  0.8706  0.5222  0.4077  1
]