data_[Cs2Lu2Mn2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  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 [9.3090]
_cell_length_b [4.2145]
_cell_length_c [10.5217]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4572]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLuMnSe3]
_chemical_formula_sum '[Cs2 Lu2 Mn2 Se6]'
_cell_volume [381.4945]
_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  0.2635  0.7500  0.2374  1
  Lu  Lu1  2  0.1705  0.2500  0.6345  1
  Mn  Mn2  2  0.4153  0.7500  0.8867  1
  Se  Se3  2  0.0251  0.2500  0.3520  1
  Se  Se4  2  0.2920  0.2500  0.9423  1
  Se  Se5  2  0.3836  0.7500  0.6443  1
]