data_HfMnNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   147.09
_cell_angle_beta   147.09
_cell_angle_gamma   47.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnNb
_chemical_formula_sum   'Hf1 Mn1 Nb1'
_cell_volume   49.75
_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
  Hf  Hf0  1  0.0  0.0  0.03  1.0
  Mn  Mn1  1  0.0  0.0  0.29  1.0
  Nb  Nb2  1  0.0  0.0  0.95  1.0

data_HfMnNb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   113.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnNb
_chemical_formula_sum   'Hf2 Mn2 Nb2'
_cell_volume   99.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Hf  Hf0  2  0.0  0.0  0.97  1.0
  Mn  Mn1  2  0.0  0.0  0.71  1.0
  Nb  Nb2  2  0.0  0.0  0.05  1.0

Hf Mn Nb
Hf Mn Nb 0 2 o o - 0 1 o o o 