data_NbZn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   2.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2P
_chemical_formula_sum   'Nb1 Zn2 P1'
_cell_volume   62.9
_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  0.53  0.0  0.0  1.0
  Zn  Zn2  1  0.26  0.16  0.44  1.0
  Zn  Zn3  1  0.26  0.84  0.44  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_NbZn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   119.37
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2P
_chemical_formula_sum   'Nb1 Zn2 P1'
_cell_volume   62.9
_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  0.53  0.0  1.0
  Zn  Zn1  1  0.44  0.26  0.16  1.0
  Zn  Zn2  1  0.44  0.26  0.84  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Nb Zn Zn P
Nb Zn Zn P 0 2 o - - 0 2 o - o 1 3 o o o 1 3 o o + 1 2 o - o 