data_NbRe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.5
_cell_angle_alpha   104.25
_cell_angle_beta   104.25
_cell_angle_gamma   36.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2P
_chemical_formula_sum   'Nb1 Re2 P1'
_cell_volume   61.2
_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
  Nb  Nb0  1  0.05  0.0  0.98  1.0
  Re  Re2  1  0.88  0.0  0.2  1.0
  Re  Re3  1  0.45  0.0  0.59  1.0
  P  P1  1  0.61  0.0  0.08  1.0

data_NbRe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.5
_cell_length_c   4.88
_cell_angle_alpha   104.25
_cell_angle_beta   108.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbRe2P
_chemical_formula_sum   'Nb1 Re2 P1'
_cell_volume   61.2
_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
  Nb  Nb0  1  0.0  0.98  0.05  1.0
  Re  Re1  1  0.0  0.2  0.88  1.0
  Re  Re2  1  0.0  0.59  0.45  1.0
  P  P3  1  0.0  0.08  0.61  1.0

Nb Re Re P