data_[Mn8Cu8Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6379]
_cell_length_b [11.9848]
_cell_length_c [6.9021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnCuTe3]
_chemical_formula_sum '[Mn8 Cu8 Te24]'
_cell_volume [1014.9979]
_cell_formula_units_Z [8]
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  0.0000  0.2516  0.2500  1.0
  Mn  Mn1  4  0.0000  0.4160  0.7500  1.0
  Cu  Cu2  8  0.1721  0.0875  0.8211  1.0
  Te  Te3  8  0.1153  0.4170  0.1311  1.0
  Te  Te4  8  0.1275  0.2696  0.6278  1.0
  Te  Te5  8  0.1336  0.1038  0.1615  1.0
]