data_[Sr2Er2B2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Er  1.2400  1.7500  1.0300
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.0491]
_cell_length_b [5.2588]
_cell_length_c [6.7712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrErBO4]
_chemical_formula_sum '[Sr2 Er2 B2 O8]'
_cell_volume [171.0365]
_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
[
  Sr  Sr0  2  0.2963  0.2500  0.0750  1.0
  Er  Er1  2  0.2165  0.2500  0.5401  1.0
  B  B2  2  0.2197  0.7500  0.3105  1.0
  O  O3  4  0.0311  0.5232  0.2712  1.0
  O  O4  2  0.3822  0.7500  0.5397  1.0
  O  O5  2  0.4073  0.7500  0.1768  1.0
]