# generated using pymatgen
data_Ca2Ni9Mo3As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84282270
_cell_length_b   9.45078618
_cell_length_c   9.45078438
_cell_angle_alpha   119.99999619
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni9Mo3As7
_chemical_formula_sum   'Ca2 Ni9 Mo3 As7'
_cell_volume   297.24652628
_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
  Ca  Ca0  1  0.00000000  0.66666700  0.33333300  1.0
  Ca  Ca1  1  0.50000000  0.33333300  0.66666700  1.0
  Ni  Ni2  1  0.00000000  0.57345976  0.93776850  1.0
  Ni  Ni3  1  0.00000000  0.36430774  0.42654024  1.0
  Ni  Ni4  1  0.00000000  0.06223150  0.63569226  1.0
  Ni  Ni5  1  0.00000000  0.87200518  0.15410737  1.0
  Ni  Ni6  1  0.00000000  0.28210319  0.12799482  1.0
  Ni  Ni7  1  0.00000000  0.84589263  0.71789681  1.0
  Ni  Ni8  1  0.50000000  0.94351762  0.37838869  1.0
  Ni  Ni9  1  0.50000000  0.43487107  0.05648238  1.0
  Ni  Ni10  1  0.50000000  0.62161131  0.56512893  1.0
  Mo  Mo11  1  0.50000000  0.78489853  0.89708125  1.0
  Mo  Mo12  1  0.50000000  0.11218372  0.21510147  1.0
  Mo  Mo13  1  0.50000000  0.10291875  0.88781628  1.0
  As  As14  1  0.50000000  0.70568166  0.11408937  1.0
  As  As15  1  0.50000000  0.40840771  0.29431834  1.0
  As  As16  1  0.50000000  0.88591063  0.59159229  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.58720166  0.69726685  1.0
  As  As19  1  0.00000000  0.11006419  0.41279834  1.0
  As  As20  1  0.00000000  0.30273315  0.88993581  1.0