data_[Cs4Mn4Te8]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.4609]
_cell_length_b [5.2991]
_cell_length_c [12.8601]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsMnTe2]
_chemical_formula_sum '[Cs4 Mn4 Te8]'
_cell_volume [576.5856]
_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  0.1432  0.2500  0.3839  1.0
  Mn  Mn1  4  0.0486  0.7500  0.1299  1.0
  Te  Te2  4  0.1001  0.2500  0.0593  1.0
  Te  Te3  4  0.1524  0.2500  0.7070  1.0
]