data_Mn2NbZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   122.86
_cell_angle_beta   122.86
_cell_angle_gamma   85.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbZn
_chemical_formula_sum   'Mn2 Nb1 Zn1'
_cell_volume   55.4
_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
  Mn  Mn0  1  0.08  0.0  0.6  1.0
  Mn  Mn1  1  0.0  0.08  0.6  1.0
  Nb  Nb2  1  0.0  0.0  0.2  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_Mn2NbZn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   132.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2NbZn
_chemical_formula_sum   'Mn4 Nb2 Zn2'
_cell_volume   110.81
_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
  Mn  Mn0  4  0.44  0.04  0.48  1.0
  Nb  Nb1  2  0.3  0.5  0.8  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0

Mn Mn Nb Zn