data_[Mn12Te14]
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 [P4bm]
_cell_length_a [11.5278]
_cell_length_b [11.5278]
_cell_length_c [18.6441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [Mn6Te7]
_chemical_formula_sum '[Mn12 Te14]'
_cell_volume [2477.6229]
_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  8  0.0701  0.2601  0.4962  1
  Mn  Mn1  4  0.1696  0.6696  0.4708  1
  Te  Te2  8  0.1029  0.8135  0.5765  1
  Te  Te3  4  0.2048  0.2952  0.3811  1
  Te  Te4  2  0.0000  0.5000  0.5053  1
]