data_[Mg2Zr2H20O10F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2973]
_cell_length_b [8.3245]
_cell_length_c [8.3314]
_cell_angle_alpha [97.7006]
_cell_angle_beta [115.2906]
_cell_angle_gamma [115.2342]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgZrH10O5F6]
_chemical_formula_sum '[Mg2 Zr2 H20 O10 F12]'
_cell_volume [381.7514]
_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
[
  Mg  Mg0  2  0.0453  0.8146  0.2742  1
  Zr  Zr1  2  0.2538  0.5020  0.5039  1
  H  H2  2  0.0504  0.9129  0.7877  1
  H  H3  2  0.1712  0.0205  0.6816  1
  H  H4  2  0.1969  0.3777  0.0953  1
  H  H5  2  0.2735  0.5413  0.0110  1
  H  H6  2  0.2981  0.7244  0.8736  1
  H  H7  2  0.3069  0.8744  0.1097  1
  H  H8  2  0.3439  0.0812  0.2018  1
  H  H9  2  0.3664  0.1662  0.5642  1
  H  H10  2  0.4402  0.1781  0.9385  1
  H  H11  2  0.4425  0.0229  0.6269  1
  O  O12  2  0.1304  0.0412  0.7805  1
  O  O13  2  0.1872  0.4004  0.9805  1
  O  O14  2  0.2910  0.9494  0.2041  1
  O  O15  2  0.2983  0.0307  0.5540  1
  O  O16  2  0.3866  0.7630  0.0150  1
  F  F17  2  0.0927  0.2966  0.2364  1
  F  F18  2  0.1375  0.6383  0.6473  1
  F  F19  2  0.1529  0.3100  0.6260  1
  F  F20  2  0.2148  0.6869  0.3737  1
  F  F21  2  0.4530  0.2919  0.2362  1
  F  F22  2  0.4750  0.3805  0.5690  1
]