data_[Y6Er2Sc4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.9995]
_cell_length_b [12.1223]
_cell_length_c [6.9901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y3Er(ScAs3)2]
_chemical_formula_sum '[Y6 Er2 Sc4 As12]'
_cell_volume [559.1119]
_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
[
  Y  Y0  4  0.0000  0.1650  0.5000  1
  Y  Y1  2  0.0000  0.5000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Sc  Sc3  4  0.0000  0.3327  0.0000  1
  As  As4  8  0.2498  0.1699  0.2393  1
  As  As5  4  0.2392  0.5000  0.2377  1
]