data_[Mn2Cu4Te6]
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 [P2_1/m]
_cell_length_a [7.7010]
_cell_length_b [3.7778]
_cell_length_c [10.4309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6007]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCu2Te3]
_chemical_formula_sum '[Mn2 Cu4 Te6]'
_cell_volume [292.2800]
_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  0.2245  0.2500  0.7066  1.0
  Cu  Cu1  2  0.0432  0.2500  0.4302  1.0
  Cu  Cu2  2  0.4108  0.7500  0.9185  1.0
  Te  Te3  2  0.0632  0.7500  0.8273  1.0
  Te  Te4  2  0.2839  0.7500  0.5245  1.0
  Te  Te5  2  0.4226  0.7500  0.1731  1.0
]