data_[Ti2Mn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9679]
_cell_length_b [3.7913]
_cell_length_c [10.8255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TiMn2Te3]
_chemical_formula_sum '[Ti2 Mn4 Te6]'
_cell_volume [312.1885]
_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
[
  Ti  Ti0  2  0.2172  0.2500  0.6915  1.0
  Mn  Mn1  2  0.0326  0.2500  0.4546  1.0
  Mn  Mn2  2  0.3885  0.7500  0.9089  1.0
  Te  Te3  2  0.0413  0.7500  0.7997  1.0
  Te  Te4  2  0.2795  0.7500  0.5080  1.0
  Te  Te5  2  0.4277  0.7500  0.1675  1.0
]