data_Ni2SnSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   138.24
_cell_angle_beta   138.24
_cell_angle_gamma   60.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnSe
_chemical_formula_sum   'Ni2 Sn1 Se1'
_cell_volume   63.41
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.87  0.0  0.27  1.0
  Sn  Sn3  1  0.0  0.87  0.27  1.0
  Se  Se2  1  0.0  0.0  0.53  1.0

data_Ni2SnSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.25
_cell_angle_alpha   110.88
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnSe
_chemical_formula_sum   'Ni2 Sn1 Se1'
_cell_volume   63.41
_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
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.73  0.0  0.6  1.0
  Sn  Sn2  1  0.6  0.87  0.6  1.0
  Se  Se3  1  0.47  0.0  0.47  1.0

Ni Ni Sn Se