data_[Er2Zr2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.0859]
_cell_length_b [5.7013]
_cell_length_c [8.2711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3547]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [ErZrF7]
_chemical_formula_sum '[Er2 Zr2 F14]'
_cell_volume [280.3403]
_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  0.3460  0.1982  0.3170  1.0
  Zr  Zr1  2  0.1884  0.2079  0.7761  1.0
  F  F2  2  0.0426  0.4419  0.2397  1.0
  F  F3  2  0.0792  0.9279  0.2341  1.0
  F  F4  2  0.1397  0.2099  0.5241  1.0
  F  F5  2  0.2455  0.2025  0.0268  1.0
  F  F6  2  0.3810  0.5054  0.7805  1.0
  F  F7  2  0.4537  0.8902  0.4775  1.0
  F  F8  2  0.4585  0.9925  0.7867  1.0
]