data_[Mn9Cd3Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cd  1.6900  1.5500  1.0900
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5655]
_cell_length_b [4.5655]
_cell_length_c [44.3919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mn3CdTe4]
_chemical_formula_sum '[Mn9 Cd3 Te12]'
_cell_volume [801.3424]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2490  1.0
  Mn  Mn1  3  0.0000  0.0000  0.5002  1.0
  Mn  Mn2  3  0.0000  0.0000  0.7517  1.0
  Cd  Cd3  3  0.0000  0.0000  0.9993  1.0
  Te  Te4  3  0.0000  0.0000  0.1867  1.0
  Te  Te5  3  0.0000  0.0000  0.4379  1.0
  Te  Te6  3  0.0000  0.0000  0.6902  1.0
  Te  Te7  3  0.0000  0.0000  0.9349  1.0
]