data_[K6Nd2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Nd  1.1400  1.8500  1.2765
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8351]
_cell_length_b [8.7246]
_cell_length_c [7.2204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K3NdF7]
_chemical_formula_sum '[K6 Nd2 F14]'
_cell_volume [454.5497]
_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
[
  K  K0  4  0.0028  0.2302  0.5086  1.0
  K  K1  2  0.5000  0.0000  0.9843  1.0
  Nd  Nd2  2  0.4542  0.5000  0.9719  1.0
  F  F3  4  0.1334  0.2001  0.2285  1.0
  F  F4  4  0.3763  0.2690  0.7668  1.0
  F  F5  2  0.1336  0.5000  0.7191  1.0
  F  F6  2  0.1450  0.0000  0.8471  1.0
  F  F7  2  0.3671  0.5000  0.2198  1.0
]