data_[La2Sm2Er2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2585]
_cell_length_b [4.0803]
_cell_length_c [10.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9377]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSmErSe3]
_chemical_formula_sum '[La2 Sm2 Er2 Se6]'
_cell_volume [312.2208]
_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
[
  La  La0  2  0.3398  0.2500  0.3062  1.0
  Sm  Sm1  2  0.2366  0.7500  0.9427  1.0
  Er  Er2  2  0.1218  0.2500  0.6307  1.0
  Se  Se3  2  0.0517  0.7500  0.1588  1.0
  Se  Se4  2  0.2706  0.7500  0.5026  1.0
  Se  Se5  2  0.4497  0.2500  0.8311  1.0
]