data_[Er2As2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1300]
_cell_length_b [4.7351]
_cell_length_c [5.7965]
_cell_angle_alpha [91.8462]
_cell_angle_beta [95.9621]
_cell_angle_gamma [90.2318]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErAsO]
_chemical_formula_sum '[Er2 As2 O2]'
_cell_volume [112.6808]
_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
[
  Er  Er0  2  0.2783  0.7239  0.6809  1
  As  As1  2  0.1871  0.8264  0.1766  1
  O  O2  2  0.2284  0.4604  0.3436  1
]