data_[La2Zr2F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [6.3866]
_cell_length_b [6.0342]
_cell_length_c [8.6498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LaZrF7]
_chemical_formula_sum '[La2 Zr2 F14]'
_cell_volume [325.1180]
_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
[
  La  La0  2  0.3432  0.3005  0.3110  1.0
  Zr  Zr1  2  0.1874  0.2927  0.7757  1.0
  F  F2  2  0.0473  0.5579  0.2337  1.0
  F  F3  2  0.0525  0.0254  0.2449  1.0
  F  F4  2  0.1444  0.2860  0.5351  1.0
  F  F5  2  0.2328  0.2993  0.0168  1.0
  F  F6  2  0.4006  0.0353  0.7924  1.0
  F  F7  2  0.4232  0.5254  0.7903  1.0
  F  F8  2  0.4540  0.6010  0.4804  1.0
]