data_[Cs8Mn4Te8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7943]
_cell_length_b [7.7316]
_cell_length_c [10.7111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5903]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2MnTe2Se]
_chemical_formula_sum '[Cs8 Mn4 Te8 Se4]'
_cell_volume [1043.6255]
_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
[
  Cs  Cs0  4  0.0840  0.0000  0.3507  1
  Cs  Cs1  4  0.1951  0.5000  0.8231  1
  Mn  Mn2  4  0.0976  0.5000  0.1541  1
  Te  Te3  4  0.1103  0.5000  0.3961  1
  Te  Te4  4  0.2108  0.0000  0.7680  1
  Se  Se5  4  0.0000  0.2646  0.0000  1
]