# generated using pymatgen
data_LiCa7(GeH)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.74082700
_cell_length_b   9.85921900
_cell_length_c   13.73153800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa7(GeH)3
_chemical_formula_sum   'Li4 Ca28 Ge12 H12'
_cell_volume   1183.35274176
_cell_formula_units_Z   4
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  0.74476300  0.63544800  0.25000000  1
  Li  Li1  1  0.75523700  0.13544800  0.25000000  1
  Li  Li2  1  0.25523700  0.36455200  0.75000000  1
  Li  Li3  1  0.24476300  0.86455200  0.75000000  1
  Ca  Ca4  1  0.44490800  0.59001100  0.10949300  1
  Ca  Ca5  1  0.05509200  0.09001100  0.39050700  1
  Ca  Ca6  1  0.55509200  0.40998900  0.60949300  1
  Ca  Ca7  1  0.94490800  0.90998900  0.89050700  1
  Ca  Ca8  1  0.55509200  0.40998900  0.89050700  1
  Ca  Ca9  1  0.94490800  0.90998900  0.60949300  1
  Ca  Ca10  1  0.44490800  0.59001100  0.39050700  1
  Ca  Ca11  1  0.05509200  0.09001100  0.10949300  1
  Ca  Ca12  1  0.17054400  0.61265600  0.61043300  1
  Ca  Ca13  1  0.32945600  0.11265600  0.88956700  1
  Ca  Ca14  1  0.82945600  0.38734400  0.11043200  1
  Ca  Ca15  1  0.67054400  0.88734400  0.38956700  1
  Ca  Ca16  1  0.82945600  0.38734400  0.38956700  1
  Ca  Ca17  1  0.67054400  0.88734400  0.11043200  1
  Ca  Ca18  1  0.17054400  0.61265600  0.88956700  1
  Ca  Ca19  1  0.32945600  0.11265600  0.61043300  1
  Ca  Ca20  1  0.04556200  0.68581500  0.11910300  1
  Ca  Ca21  1  0.45443800  0.18581500  0.38089700  1
  Ca  Ca22  1  0.95443800  0.31418500  0.61910300  1
  Ca  Ca23  1  0.54556200  0.81418500  0.88089700  1
  Ca  Ca24  1  0.95443800  0.31418500  0.88089700  1
  Ca  Ca25  1  0.54556200  0.81418500  0.61910300  1
  Ca  Ca26  1  0.04556200  0.68581500  0.38089700  1
  Ca  Ca27  1  0.45443800  0.18581500  0.11910300  1
  Ca  Ca28  1  0.30443800  0.88440500  0.25000000  1
  Ca  Ca29  1  0.19556200  0.38440500  0.25000000  1
  Ca  Ca30  1  0.69556200  0.11559500  0.75000000  1
  Ca  Ca31  1  0.80443800  0.61559500  0.75000000  1
  Ge  Ge32  1  0.28855500  0.86822600  0.02500000  1
  Ge  Ge33  1  0.21144500  0.36822600  0.47500000  1
  Ge  Ge34  1  0.71144500  0.13177400  0.52500000  1
  Ge  Ge35  1  0.78855500  0.63177400  0.97500000  1
  Ge  Ge36  1  0.71144500  0.13177400  0.97500000  1
  Ge  Ge37  1  0.78855500  0.63177400  0.52500000  1
  Ge  Ge38  1  0.28855500  0.86822600  0.47500000  1
  Ge  Ge39  1  0.21144500  0.36822600  0.02500000  1
  Ge  Ge40  1  0.92414700  0.89406100  0.25000000  1
  Ge  Ge41  1  0.57585300  0.39406100  0.25000000  1
  Ge  Ge42  1  0.07585300  0.10593900  0.75000000  1
  Ge  Ge43  1  0.42414700  0.60593900  0.75000000  1
  H  H44  1  0.95531000  0.53011100  0.25000000  1
  H  H45  1  0.54469000  0.03011100  0.25000000  1
  H  H46  1  0.04469000  0.46988900  0.75000000  1
  H  H47  1  0.45531000  0.96988900  0.75000000  1
  H  H48  1  0.24878300  0.62866300  0.25000000  1
  H  H49  1  0.25121700  0.12866300  0.25000000  1
  H  H50  1  0.75121700  0.37133700  0.75000000  1
  H  H51  1  0.74878300  0.87133700  0.75000000  1
  H  H52  1  0.96519100  0.24546200  0.25000000  1
  H  H53  1  0.53480900  0.74546200  0.25000000  1
  H  H54  1  0.03480900  0.75453800  0.75000000  1
  H  H55  1  0.46519100  0.25453800  0.75000000  1
