data_[La2Pr6Er4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2220]
_cell_length_b [12.5547]
_cell_length_c [7.3404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2709]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaPr3(ErSe3)2]
_chemical_formula_sum '[La2 Pr6 Er4 Se12]'
_cell_volume [628.2623]
_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  0.0000  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.1592  0.5000  1
  Pr  Pr2  2  0.0000  0.5000  0.5000  1
  Er  Er3  4  0.0000  0.3328  0.0000  1
  Se  Se4  8  0.2469  0.3263  0.7614  1
  Se  Se5  4  0.2294  0.5000  0.2311  1
]