data_[Sm2Er4Sc6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9400]
_cell_length_b [12.0199]
_cell_length_c [6.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmEr2(ScAs2)3]
_chemical_formula_sum '[Sm2 Er4 Sc6 As12]'
_cell_volume [544.4984]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.0000  1.0
  Er  Er1  4  0.0000  0.3329  0.0000  1.0
  Sc  Sc2  4  0.0000  0.1653  0.5000  1.0
  Sc  Sc3  2  0.0000  0.5000  0.5000  1.0
  As  As4  8  0.2424  0.3310  0.7345  1.0
  As  As5  4  0.2500  0.0000  0.7353  1.0
]