data_Mn2NbTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   139.48
_cell_angle_beta   128.44
_cell_angle_gamma   67.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbTe
_chemical_formula_sum   'Mn2 Nb1 Te1'
_cell_volume   65.25
_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  0.76  0.0  0.08  1.0
  Mn  Mn1  1  0.0  0.2  0.14  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.21  1.0

data_Mn2NbTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.41
_cell_length_c   5.07
_cell_angle_alpha   115.78
_cell_angle_beta   110.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NbTe
_chemical_formula_sum   'Mn2 Nb1 Te1'
_cell_volume   65.25
_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  0.68  0.92  0.68  1.0
  Mn  Mn1  1  0.86  0.07  0.07  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.79  0.79  0.79  1.0

Mn Mn Nb Te
Mn Mn Nb Te 0 3 + o o 1 2 o o o 2 3 o o o 