data_[Na4Er4P16O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2_1/c]
_cell_length_a [7.2506]
_cell_length_b [13.2006]
_cell_length_c [12.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.2586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaEr(PO3)4]
_chemical_formula_sum '[Na4 Er4 P16 O48]'
_cell_volume [934.6678]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.4391  0.7235  0.4395  1
  Er  Er1  4  0.0332  0.7221  0.5217  1
  P  P2  4  0.0597  0.5933  0.7929  1
  P  P3  4  0.1545  0.1272  0.3012  1
  P  P4  4  0.3911  0.1150  0.7645  1
  P  P5  4  0.4953  0.1040  0.2448  1
  O  O6  4  0.0209  0.6342  0.3508  1
  O  O7  4  0.1217  0.6147  0.6969  1
  O  O8  4  0.1425  0.0189  0.3580  1
  O  O9  4  0.1488  0.6637  0.9118  1
  O  O10  4  0.1670  0.2074  0.3932  1
  O  O11  4  0.2157  0.0818  0.7989  1
  O  O12  4  0.2763  0.1859  0.6451  1
  O  O13  4  0.2917  0.6664  0.1985  1
  O  O14  4  0.3089  0.1150  0.0939  1
  O  O15  4  0.3955  0.6507  0.6032  1
  O  O16  4  0.4076  0.1260  0.3372  1
  O  O17  4  0.4305  0.0120  0.7121  1
]