data_MnSnSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   131.63
_cell_angle_beta   131.63
_cell_angle_gamma   70.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnSe2
_chemical_formula_sum   'Mn1 Sn1 Se2'
_cell_volume   75.69
_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
  Sn  Sn3  1  0.12  0.0  0.11  1.0
  Se  Se1  1  0.0  0.12  0.11  1.0
  Se  Se2  1  0.0  0.0  0.22  1.0

data_MnSnSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.17
_cell_angle_alpha   114.18
_cell_angle_beta   114.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnSe2
_chemical_formula_sum   'Mn1 Sn1 Se2'
_cell_volume   75.69
_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
  Sn  Sn1  1  0.11  0.99  0.99  1.0
  Se  Se2  1  0.22  0.22  0.22  1.0
  Se  Se3  1  0.99  0.11  0.99  1.0

Mn Sn Se Se