data_[Er1Ni1C2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.7803]
_cell_length_b [5.0316]
_cell_length_c [5.8208]
_cell_angle_alpha [90.5973]
_cell_angle_beta [108.9277]
_cell_angle_gamma [115.9939]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErNi(CO3)2]
_chemical_formula_sum '[Er1 Ni1 C2 O6]'
_cell_volume [117.1051]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  Ni  Ni1  1  0.0000  0.5000  0.5000  1
  C  C2  2  0.4706  0.6936  0.2423  1
  O  O3  2  0.2330  0.4430  0.2594  1
  O  O4  2  0.2509  0.2964  0.7545  1
  O  O5  2  0.4313  0.9292  0.2182  1
]