data_[Mn2Fe4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9517]
_cell_length_b [3.5112]
_cell_length_c [10.3450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnFe2Te3]
_chemical_formula_sum '[Mn2 Fe4 Te6]'
_cell_volume [272.4302]
_cell_formula_units_Z [2]
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  2  0.2647  0.7500  0.7853  1.0
  Fe  Fe1  2  0.0926  0.2500  0.5870  1.0
  Fe  Fe2  2  0.4705  0.7500  0.0668  1.0
  Te  Te3  2  0.0888  0.2500  0.3365  1.0
  Te  Te4  2  0.2180  0.2500  0.9812  1.0
  Te  Te5  2  0.4338  0.2500  0.6715  1.0
]