data_[Ba2Er2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.8356]
_cell_length_b [5.1793]
_cell_length_c [8.5296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaEr(PO4)2]
_chemical_formula_sum '[Ba2 Er2 P4 O16]'
_cell_volume [345.6370]
_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
[
  Ba  Ba0  2  0.0000  0.9915  0.5000  1.0
  Er  Er1  2  0.0000  0.9418  0.0000  1.0
  P  P2  4  0.1076  0.5022  0.7763  1.0
  O  O3  4  0.0511  0.6829  0.2169  1.0
  O  O4  4  0.0564  0.2177  0.8028  1.0
  O  O5  4  0.1787  0.5316  0.6123  1.0
  O  O6  4  0.2306  0.5989  0.9141  1.0
]