data_NbZn2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   5.02
_cell_angle_alpha   136.72
_cell_angle_beta   133.78
_cell_angle_gamma   65.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Mo
_chemical_formula_sum   'Nb1 Zn2 Mo1'
_cell_volume   61.81
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.0  0.97  0.11  1.0
  Zn  Zn3  1  0.85  0.0  0.12  1.0
  Mo  Mo0  1  0.0  0.0  0.23  1.0

data_NbZn2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.94
_cell_length_c   5.02
_cell_angle_alpha   113.11
_cell_angle_beta   111.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbZn2Mo
_chemical_formula_sum   'Nb1 Zn2 Mo1'
_cell_volume   61.81
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.73  0.88  0.73  1.0
  Zn  Zn2  1  0.89  0.86  0.86  1.0
  Mo  Mo3  1  0.77  0.77  0.77  1.0

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