data_MnNb2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   145.59
_cell_angle_beta   133.82
_cell_angle_gamma   58.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Si
_chemical_formula_sum   'Mn1 Nb2 Si1'
_cell_volume   59.58
_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  0.0  0.07  0.24  1.0
  Nb  Nb1  1  0.0  0.0  0.04  1.0
  Nb  Nb2  1  0.56  0.0  0.25  1.0
  Si  Si3  1  0.0  0.0  0.88  1.0

data_MnNb2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.14
_cell_length_c   5.28
_cell_angle_alpha   113.09
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNb2Si
_chemical_formula_sum   'Mn1 Nb2 Si1'
_cell_volume   59.58
_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  0.93  0.17  0.17  1.0
  Nb  Nb1  1  0.0  0.04  0.04  1.0
  Nb  Nb2  1  0.0  0.25  0.68  1.0
  Si  Si3  1  0.0  0.88  0.88  1.0

Mn Nb Nb Si
Mn Nb Nb Si 0 1 o o o 0 2 - o o 1 3 o o - 1 2 o o o 2 3 o o - 2 3 + o o 