data_[Mn2Cu2Sn2Te6]
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
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5883]
_cell_length_b [4.1611]
_cell_length_c [9.3931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnCuSnTe3]
_chemical_formula_sum '[Mn2 Cu2 Sn2 Te6]'
_cell_volume [321.7459]
_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  0.3171  0.7500  0.8347  1.0
  Cu  Cu1  2  0.0765  0.2500  0.5612  1.0
  Sn  Sn2  2  0.1970  0.2500  0.2095  1.0
  Te  Te3  2  0.0985  0.2500  0.8618  1.0
  Te  Te4  2  0.2502  0.7500  0.5315  1.0
  Te  Te5  2  0.4439  0.7500  0.1405  1.0
]