data_[Al2Cu3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.9139]
_cell_length_b [21.2114]
_cell_length_c [3.9267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4660]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Al2(CuP)3]
_chemical_formula_sum '[Al2 Cu3 P3]'
_cell_volume [325.8837]
_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
[
  Al  Al0  2  0.4029  0.4138  0.6554  1
  Cu  Cu1  2  0.8730  0.4178  0.2053  1
  Cu  Cu2  1  0.3509  0.5000  0.1268  1
  P  P3  2  0.3832  0.3536  0.1527  1
  P  P4  1  0.9546  0.5000  0.6435  1
]