data_[Lu2Zr2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  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 [6.0260]
_cell_length_b [5.6479]
_cell_length_c [8.2092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LuZrF7]
_chemical_formula_sum '[Lu2 Zr2 F14]'
_cell_volume [272.8982]
_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
[
  Lu  Lu0  2  0.3469  0.1972  0.3182  1.0
  Zr  Zr1  2  0.1880  0.2077  0.7764  1.0
  F  F2  2  0.0459  0.4395  0.2395  1.0
  F  F3  2  0.0830  0.9301  0.2347  1.0
  F  F4  2  0.1393  0.2096  0.5220  1.0
  F  F5  2  0.2461  0.2024  0.0289  1.0
  F  F6  2  0.3828  0.5087  0.7800  1.0
  F  F7  2  0.4548  0.8901  0.4786  1.0
  F  F8  2  0.4615  0.9911  0.7869  1.0
]