data_[Nd4Y2Er6As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1096]
_cell_length_b [4.1608]
_cell_length_c [8.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Y(ErAs2)3]
_chemical_formula_sum '[Nd4 Y2 Er6 As12]'
_cell_volume [609.8525]
_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
[
  Nd  Nd0  4  0.1658  0.0000  0.3324  1.0
  Y  Y1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1671  0.0000  0.8342  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0030  0.0000  0.7499  1.0
  As  As5  4  0.1641  0.5000  0.5902  1.0
  As  As6  4  0.1669  0.5000  0.0756  1.0
]