data_[Sm2Zr2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [6.2229]
_cell_length_b [5.9189]
_cell_length_c [8.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SmZrF7]
_chemical_formula_sum '[Sm2 Zr2 F14]'
_cell_volume [303.4732]
_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
[
  Sm  Sm0  2  0.1536  0.2632  0.1881  1.0
  Zr  Zr1  2  0.3149  0.2563  0.7251  1.0
  F  F2  2  0.0383  0.5551  0.0171  1.0
  F  F3  2  0.0737  0.4948  0.7089  1.0
  F  F4  2  0.0989  0.9914  0.7088  1.0
  F  F5  2  0.2665  0.2620  0.4786  1.0
  F  F6  2  0.3581  0.2524  0.9711  1.0
  F  F7  2  0.4375  0.9917  0.2542  1.0
  F  F8  2  0.4433  0.5186  0.2643  1.0
]