data_NbGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   141.56
_cell_angle_beta   127.79
_cell_angle_gamma   66.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaP2
_chemical_formula_sum   'Nb1 Ga1 P2'
_cell_volume   59.77
_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  Nb1  1  0.0  0.19  0.07  1.0
  Ga  Ga0  1  0.0  0.0  1.0  1.0
  P  P2  1  0.0  0.0  0.17  1.0
  P  P3  1  0.64  0.0  0.08  1.0

data_NbGaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.38
_cell_length_c   4.98
_cell_angle_alpha   116.11
_cell_angle_beta   109.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbGaP2
_chemical_formula_sum   'Nb1 Ga1 P2'
_cell_volume   59.77
_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  0.81  0.88  0.88  1.0
  Ga  Ga1  1  0.0  1.0  1.0  1.0
  P  P2  1  0.0  0.08  0.44  1.0
  P  P3  1  0.0  0.17  0.17  1.0

Nb Ga P P