data_[Cs2Mn2Te4]
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 [Pm]
_cell_length_a [6.9801]
_cell_length_b [3.9935]
_cell_length_c [11.0517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9741]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsMnTe2]
_chemical_formula_sum '[Cs2 Mn2 Te4]'
_cell_volume [297.6037]
_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
[
  Cs  Cs0  1  0.2230  0.5000  0.3966  1.0
  Cs  Cs1  1  0.8621  0.5000  0.7377  1.0
  Mn  Mn2  1  0.4541  0.0000  0.9490  1.0
  Mn  Mn3  1  0.6837  0.5000  0.2091  1.0
  Te  Te4  1  0.2988  0.5000  0.0560  1.0
  Te  Te5  1  0.3536  0.0000  0.7051  1.0
  Te  Te6  1  0.7030  0.0000  0.3789  1.0
  Te  Te7  1  0.8359  0.0000  0.0876  1.0
]