data_[Cs2Lu2Mg2Se6]
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
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5753]
_cell_length_b [4.2251]
_cell_length_c [10.4058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsLuMgSe3]
_chemical_formula_sum '[Cs2 Lu2 Mg2 Se6]'
_cell_volume [390.8466]
_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  0.2807  0.7500  0.7586  1
  Lu  Lu1  2  0.1652  0.2500  0.1300  1
  Mg  Mg2  2  0.4145  0.7500  0.3865  1
  Se  Se3  2  0.0208  0.2500  0.8468  1
  Se  Se4  2  0.2980  0.2500  0.4489  1
  Se  Se5  2  0.3691  0.7500  0.1324  1
]