data_[Er4Cr4Cl4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9450]
_cell_length_b [7.1526]
_cell_length_c [6.6472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4675]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErCrClO4]
_chemical_formula_sum '[Er4 Cr4 Cl4 O16]'
_cell_volume [455.7125]
_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  0.2232  0.0000  0.1129  1.0
  Cr  Cr1  4  0.1396  0.5000  0.2694  1.0
  Cl  Cl2  4  0.0137  0.0000  0.7633  1.0
  O  O3  8  0.1922  0.3159  0.1476  1.0
  O  O4  4  0.0312  0.5000  0.7724  1.0
  O  O5  4  0.2141  0.5000  0.5214  1.0
]