data_MnFe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.83
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Te
_chemical_formula_sum   'Mn1 Fe2 Te1'
_cell_volume   53.93
_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  Mn2  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.73  0.92  0.0  1.0
  Fe  Fe1  1  0.73  0.0  0.03  1.0
  Te  Te3  1  0.0  0.92  0.03  1.0

data_MnFe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.83
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFe2Te
_chemical_formula_sum   'Mn1 Fe2 Te1'
_cell_volume   53.93
_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
  Fe  Fe1  1  0.73  0.0  0.03  1.0
  Fe  Fe2  1  0.73  0.92  0.0  1.0
  Te  Te3  1  0.0  0.92  0.03  1.0

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