data_[Er4Sc4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3685]
_cell_length_b [16.1477]
_cell_length_c [6.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErScCl4]
_chemical_formula_sum '[Er4 Sc4 Cl16]'
_cell_volume [629.5204]
_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  0.0000  0.3090  0.7500  1
  Sc  Sc1  4  0.0000  0.1967  0.2500  1
  Cl  Cl2  8  0.2402  0.0834  0.2487  1
  Cl  Cl3  8  0.2498  0.3166  0.2576  1
]