data_[Er4Ni4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.1814]
_cell_length_b [5.5590]
_cell_length_c [9.0583]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ErNiO3]
_chemical_formula_sum '[Er4 Ni4 O12]'
_cell_volume [213.8946]
_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
[
  Er  Er0  4  0.2718  0.0759  0.2512  1.0
  Ni  Ni1  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1370  0.0355  0.7450  1.0
  O  O4  4  0.2434  0.7016  0.5565  1.0
  O  O5  4  0.3540  0.1887  0.5517  1.0
]