data_[Cs2Zr2Mn2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5488]
_cell_length_b [4.0281]
_cell_length_c [10.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsZrMnSe3]
_chemical_formula_sum '[Cs2 Zr2 Mn2 Se6]'
_cell_volume [355.2648]
_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  0.2225  0.2500  0.2535  1.0
  Zr  Zr1  2  0.3311  0.7500  0.8552  1.0
  Mn  Mn2  2  0.0870  0.2500  0.6137  1.0
  Se  Se3  2  0.1362  0.2500  0.8695  1.0
  Se  Se4  2  0.2090  0.7500  0.5545  1.0
  Se  Se5  2  0.4738  0.7500  0.1519  1.0
]