data_[Er2Zr2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8417]
_cell_length_b [9.0551]
_cell_length_c [4.6822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.0631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErZrSi2O7]
_chemical_formula_sum '[Er2 Zr2 Si4 O14]'
_cell_volume [283.6668]
_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  0.0000  0.6874  0.5000  1
  Zr  Zr1  2  0.0000  0.3084  0.5000  1
  Si  Si2  4  0.2163  0.9955  0.9035  1
  O  O3  4  0.1174  0.5011  0.7896  1
  O  O4  4  0.2252  0.1466  0.7104  1
  O  O5  4  0.2380  0.8503  0.6995  1
  O  O6  2  0.0000  0.9779  0.0000  1
]