data_[Mn4Cu2Te6]
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 [Pmc2_1]
_cell_length_a [21.7896]
_cell_length_b [4.1214]
_cell_length_c [7.6173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Mn2CuTe3]
_chemical_formula_sum '[Mn4 Cu2 Te6]'
_cell_volume [684.0533]
_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  4  0.3954  0.2181  0.4529  1
  Cu  Cu1  2  0.5000  0.4406  0.1215  1
  Te  Te2  4  0.3442  0.2912  0.1297  1
  Te  Te3  2  0.5000  0.1058  0.8422  1
]