data_MnNbSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   134.7
_cell_angle_beta   129.44
_cell_angle_gamma   70.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbSn2
_chemical_formula_sum   'Mn1 Nb1 Sn2'
_cell_volume   78.32
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.3  1.0
  Sn  Sn2  1  0.03  0.0  0.12  1.0
  Sn  Sn3  1  0.0  0.25  0.19  1.0

data_MnNbSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.05
_cell_length_b   4.49
_cell_length_c   5.26
_cell_angle_alpha   115.28
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNbSn2
_chemical_formula_sum   'Mn1 Nb1 Sn2'
_cell_volume   78.32
_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  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.3  0.3  1.0
  Sn  Sn2  1  0.0  0.12  0.09  1.0
  Sn  Sn3  1  0.75  0.94  0.94  1.0

Mn Nb Sn Sn
Mn Nb Sn Sn 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 