data_TiMn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   3.6
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   96.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Te
_chemical_formula_sum   'Ti1 Mn2 Te1'
_cell_volume   67.66
_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
  Ti  Ti3  1  0.18  0.0  0.26  1.0
  Mn  Mn0  1  0.08  0.8  0.1  1.0
  Mn  Mn1  1  0.55  0.0  0.25  1.0
  Te  Te2  1  0.89  0.8  0.88  1.0

data_TiMn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.6
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   96.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Te
_chemical_formula_sum   'Ti1 Mn2 Te1'
_cell_volume   67.66
_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
  Ti  Ti0  1  0.18  0.0  0.26  1.0
  Mn  Mn1  1  0.08  0.8  0.1  1.0
  Mn  Mn2  1  0.55  0.0  0.25  1.0
  Te  Te3  1  0.89  0.8  0.88  1.0

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