data_[Al1Re1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [2.9996]
_cell_length_b [2.9996]
_cell_length_c [5.7121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AlReP]
_chemical_formula_sum '[Al1 Re1 P1]'
_cell_volume [44.5103]
_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  1  0.0000  0.0000  0.9997  1
  Re  Re1  1  0.3333  0.6667  0.6434  1
  P  P2  1  0.6667  0.3333  0.3569  1
]