# generated using pymatgen
data_Li3Ca2Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86841143
_cell_length_b   9.41451448
_cell_length_c   9.41451327
_cell_angle_alpha   119.99999573
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ca2Ni9As7
_chemical_formula_sum   'Li3 Ca2 Ni9 As7'
_cell_volume   296.93343900
_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  0.50000000  0.78940713  0.89171073  1.0
  Li  Li1  1  0.50000000  0.10230460  0.21059287  1.0
  Li  Li2  1  0.50000000  0.10828927  0.89769540  1.0
  Ca  Ca3  1  0.00000000  0.66666700  0.33333300  1.0
  Ca  Ca4  1  0.50000000  0.33333300  0.66666700  1.0
  Ni  Ni5  1  0.00000000  0.57245314  0.94804467  1.0
  Ni  Ni6  1  0.00000000  0.37559053  0.42754686  1.0
  Ni  Ni7  1  0.00000000  0.05195533  0.62440947  1.0
  Ni  Ni8  1  0.00000000  0.87573574  0.16102651  1.0
  Ni  Ni9  1  0.00000000  0.28529177  0.12426426  1.0
  Ni  Ni10  1  0.00000000  0.83897349  0.71470823  1.0
  Ni  Ni11  1  0.50000000  0.95252052  0.38740602  1.0
  Ni  Ni12  1  0.50000000  0.43488550  0.04747948  1.0
  Ni  Ni13  1  0.50000000  0.61259398  0.56511450  1.0
  As  As14  1  0.50000000  0.71085843  0.11699237  1.0
  As  As15  1  0.50000000  0.40613494  0.28914157  1.0
  As  As16  1  0.50000000  0.88300763  0.59386506  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.58710045  0.69993179  1.0
  As  As19  1  0.00000000  0.11283034  0.41289955  1.0
  As  As20  1  0.00000000  0.30006821  0.88716966  1.0