data_[La2Sc10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.1657]
_cell_length_b [3.4297]
_cell_length_c [7.9011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaSc5]
_chemical_formula_sum '[La2 Sc10]'
_cell_volume [320.6145]
_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  0.0030  0.0000  0.0083  1.0
  Sc  Sc1  2  0.0557  0.0000  0.6041  1.0
  Sc  Sc2  2  0.1715  0.5000  0.3446  1.0
  Sc  Sc3  2  0.2248  0.5000  0.9325  1.0
  Sc  Sc4  2  0.3295  0.0000  0.6570  1.0
  Sc  Sc5  2  0.3821  0.0000  0.2868  1.0
]