# generated using pymatgen
data_Li2MgZr2H4(OF3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.90816900
_cell_length_b   6.93206134
_cell_length_c   7.53719398
_cell_angle_alpha   115.59599123
_cell_angle_beta   89.84812468
_cell_angle_gamma   106.15017590
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2MgZr2H4(OF3)4
_chemical_formula_sum   'Li2 Mg1 Zr2 H4 O4 F12'
_cell_volume   309.78154703
_cell_formula_units_Z   1
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
  Li  Li0  1  0.92780600  0.79811800  0.67522100  1
  Li  Li1  1  0.07219400  0.20188200  0.32477900  1
  Mg  Mg2  1  0.50000000  0.00000000  0.00000000  1
  Zr  Zr3  1  0.00105900  0.74138100  0.24957700  1
  Zr  Zr4  1  0.99894100  0.25861900  0.75042300  1
  H  H5  1  0.75183300  0.31248000  0.13805800  1
  H  H6  1  0.24816700  0.68752000  0.86194200  1
  H  H7  1  0.53578900  0.23697300  0.20245400  1
  H  H8  1  0.46421100  0.76302700  0.79754600  1
  O  O9  1  0.61817200  0.21658300  0.12814900  1
  O  O10  1  0.38182800  0.78341700  0.87185100  1
  O  O11  1  0.60213500  0.67797200  0.66920100  1
  O  O12  1  0.39786500  0.32202800  0.33079900  1
  F  F13  1  0.96489900  0.47071500  0.18805300  1
  F  F14  1  0.03510100  0.52928500  0.81194700  1
  F  F15  1  0.70827200  0.80303300  0.16785100  1
  F  F16  1  0.29172800  0.19696700  0.83214900  1
  F  F17  1  0.95716100  0.87490200  0.91764800  1
  F  F18  1  0.04283900  0.12509800  0.08235200  1
  F  F19  1  0.30089800  0.83865000  0.19613300  1
  F  F20  1  0.69910200  0.16135000  0.80386700  1
  F  F21  1  0.82228500  0.48650600  0.48537800  1
  F  F22  1  0.17771500  0.51349400  0.51462200  1
  F  F23  1  0.06235300  0.88319500  0.44572000  1
  F  F24  1  0.93764700  0.11680500  0.55428000  1
