data_MnSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnTe2
_chemical_formula_sum   'Mn1 Sn1 Te2'
_cell_volume   110.49
_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  0.0  0.0  0.11  1.0
  Te  Te2  1  0.13  0.0  0.43  1.0
  Te  Te3  1  0.13  0.0  0.79  1.0

data_MnSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSnTe2
_chemical_formula_sum   'Mn1 Sn1 Te2'
_cell_volume   110.49
_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  0.0  0.0  0.11  1.0
  Te  Te2  1  0.13  0.0  0.43  1.0
  Te  Te3  1  0.13  0.0  0.79  1.0

Mn Sn Te Te
Mn Sn Te Te 0 1 o o o 0 3 o o - 1 2 o o o 2 3 o o o 