data_MnSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   6.1
_cell_angle_alpha   113.83
_cell_angle_beta   113.83
_cell_angle_gamma   26.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSbTe2
_chemical_formula_sum   'Mn1 Sb1 Te2'
_cell_volume   111.65
_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  0.92  0.0  0.44  1.0
  Sb  Sb1  1  0.5  0.0  0.3  1.0
  Te  Te2  1  0.61  0.0  0.38  1.0
  Te  Te3  1  0.29  0.0  0.75  1.0

data_MnSbTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   6.1
_cell_length_c   6.73
_cell_angle_alpha   113.83
_cell_angle_beta   103.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnSbTe2
_chemical_formula_sum   'Mn1 Sb1 Te2'
_cell_volume   111.65
_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  0.44  0.92  1.0
  Sb  Sb1  1  0.0  0.3  0.5  1.0
  Te  Te2  1  0.0  0.38  0.61  1.0
  Te  Te3  1  0.0  0.75  0.29  1.0

Mn Sb Te Te
Mn Sb Te Te 0 2 o o o 0 3 + o o 1 2 o o o 1 3 o o - 3 3 + - o 