data_Nb2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   133.64
_cell_angle_beta   133.64
_cell_angle_gamma   67.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnSe
_chemical_formula_sum   'Nb2 Sn1 Se1'
_cell_volume   77.11
_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
  Nb  Nb0  1  0.0  0.0  0.41  1.0
  Nb  Nb1  1  0.0  0.09  0.21  1.0
  Sn  Sn3  1  0.09  0.0  0.21  1.0
  Se  Se2  1  0.0  0.0  0.0  1.0

data_Nb2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.31
_cell_angle_alpha   113.18
_cell_angle_beta   113.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2SnSe
_chemical_formula_sum   'Nb2 Sn1 Se1'
_cell_volume   77.11
_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
  Nb  Nb0  1  0.59  0.0  0.59  1.0
  Nb  Nb1  1  0.88  0.09  0.88  1.0
  Sn  Sn2  1  0.79  0.0  0.88  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Nb Nb Sn Se
Nb Nb Sn Se 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 2 3 o o o 