data_[Mn4Cu4Te8]
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 [Pna2_1]
_cell_length_a [7.3152]
_cell_length_b [8.4646]
_cell_length_c [7.1762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [33]
_chemical_formula_structural [MnCuTe2]
_chemical_formula_sum '[Mn4 Cu4 Te8]'
_cell_volume [444.3516]
_cell_formula_units_Z [4]
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  0.0820  0.1259  0.0099  1
  Cu  Cu1  4  0.0861  0.6237  0.0115  1
  Te  Te2  4  0.0805  0.6188  0.3704  1
  Te  Te3  4  0.0846  0.1315  0.3813  1
]