data_MnFeTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   3.93
_cell_angle_alpha   104.4
_cell_angle_beta   104.4
_cell_angle_gamma   100.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeTe2
_chemical_formula_sum   'Mn1 Fe1 Te2'
_cell_volume   88.27
_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  Mn1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.18  0.0  0.0  1.0
  Te  Te2  1  0.82  0.92  0.81  1.0
  Te  Te3  1  0.82  0.08  0.81  1.0

data_MnFeTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   100.77
_cell_angle_beta   104.4
_cell_angle_gamma   104.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeTe2
_chemical_formula_sum   'Mn1 Fe1 Te2'
_cell_volume   88.27
_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  -0.0  0.18  0.0  1.0
  Te  Te2  1  0.81  0.82  0.92  1.0
  Te  Te3  1  0.81  0.82  0.08  1.0

Mn Fe Te Te