# generated using pymatgen
data_Ca2Ni12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38949904
_cell_length_b   9.38949904
_cell_length_c   3.81937700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000734
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2Ni12As7
_chemical_formula_sum   'Ca2 Ni12 As7'
_cell_volume   291.61373271
_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  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.50000000  1.0
  Ni  Ni2  1  0.38841200  0.28502200  0.00000000  1.0
  Ni  Ni3  1  0.89660900  0.61158800  0.00000000  1.0
  Ni  Ni4  1  0.71497800  0.10339100  0.00000000  1.0
  Ni  Ni5  1  0.61368500  0.79493800  0.00000000  1.0
  Ni  Ni6  1  0.18125300  0.38631500  0.00000000  1.0
  Ni  Ni7  1  0.20506200  0.81874700  0.00000000  1.0
  Ni  Ni8  1  0.75711700  0.71479900  0.50000000  1.0
  Ni  Ni9  1  0.95768200  0.24288300  0.50000000  1.0
  Ni  Ni10  1  0.28520100  0.04231800  0.50000000  1.0
  Ni  Ni11  1  0.42904300  0.55220600  0.50000000  1.0
  Ni  Ni12  1  0.12316300  0.57095700  0.50000000  1.0
  Ni  Ni13  1  0.44779400  0.87683700  0.50000000  1.0
  As  As14  1  0.62056700  0.54920500  0.00000000  1.0
  As  As15  1  0.92863800  0.37943300  0.00000000  1.0
  As  As16  1  0.45079500  0.07136200  0.00000000  1.0
  As  As17  1  0.73797600  0.96485900  0.50000000  1.0
  As  As18  1  0.22688300  0.26202400  0.50000000  1.0
  As  As19  1  0.03514100  0.77311700  0.50000000  1.0
  As  As20  1  0.33333300  0.66666700  0.00000000  1.0