data_[Er2Cl2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.6986]
_cell_length_b [5.2406]
_cell_length_c [8.8152]
_cell_angle_alpha [97.6154]
_cell_angle_beta [98.6718]
_cell_angle_gamma [109.1648]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ErClF]
_chemical_formula_sum '[Er2 Cl2 F2]'
_cell_volume [156.4921]
_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  0.2932  0.6986  0.8607  1
  Cl  Cl1  2  0.2126  0.1668  0.3308  1
  F  F2  2  0.3018  0.5348  0.0993  1
]