data_[Mn2Cu4Te16]
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/m]
_cell_length_a [14.3295]
_cell_length_b [7.2119]
_cell_length_c [6.0171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(CuTe4)2]
_chemical_formula_sum '[Mn2 Cu4 Te16]'
_cell_volume [621.7917]
_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  2  0.0000  0.0000  0.0000  1
  Cu  Cu1  4  0.1801  0.0000  0.4126  1
  Te  Te2  8  0.0565  0.2496  0.3050  1
  Te  Te3  4  0.1686  0.0000  0.8363  1
  Te  Te4  4  0.1840  0.5000  0.8508  1
]