data_[Mn4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [7.4582]
_cell_length_b [7.4582]
_cell_length_c [18.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Mn2Te3]
_chemical_formula_sum '[Mn4 Te6]'
_cell_volume [1032.9942]
_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  4  0.2694  0.2694  0.4685  1
  Te  Te1  4  0.1898  0.5000  0.5766  1
  Te  Te2  1  0.0000  0.0000  0.4352  1
  Te  Te3  1  0.5000  0.5000  0.3843  1
]