data_[Cs2Zr2Mn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.1642]
_cell_length_b [4.2529]
_cell_length_c [10.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrMnTe3]
_chemical_formula_sum '[Cs2 Zr2 Mn2 Te6]'
_cell_volume [422.4470]
_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  2  0.2198  0.2500  0.2547  1.0
  Zr  Zr1  2  0.3324  0.7500  0.8560  1.0
  Mn  Mn2  2  0.0866  0.2500  0.6110  1.0
  Te  Te3  2  0.1329  0.2500  0.8692  1.0
  Te  Te4  2  0.2145  0.7500  0.5517  1.0
  Te  Te5  2  0.4709  0.7500  0.1554  1.0
]