data_[Y6Er2As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2362]
_cell_length_b [11.6343]
_cell_length_c [4.1202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y3ErAs4]
_chemical_formula_sum '[Y6 Er2 As8]'
_cell_volume [394.8093]
_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  0.2500  0.2500  0.0000  1.0
  Y  Y1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.5000  1.0
  As  As3  4  0.0000  0.2490  0.5000  1.0
  As  As4  4  0.2480  0.0000  0.0000  1.0
]