data_[La6Er2Sc4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0708]
_cell_length_b [12.2041]
_cell_length_c [7.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3Er(ScSe3)2]
_chemical_formula_sum '[La6 Er2 Sc4 Se12]'
_cell_volume [594.2017]
_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  4  0.0000  0.1640  0.5000  1.0
  La  La1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Sc  Sc3  4  0.0000  0.3330  0.0000  1.0
  Se  Se4  8  0.2436  0.1702  0.2212  1.0
  Se  Se5  4  0.2320  0.5000  0.2183  1.0
]