# generated using pymatgen
data_Ca5Ni9As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99137700
_cell_length_b   9.96588561
_cell_length_c   9.96588561
_cell_angle_alpha   119.99999743
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Ni9As7
_chemical_formula_sum   'Ca5 Ni9 As7'
_cell_volume   343.30900057
_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  0.50000000  0.76811400  0.88895700  1.0
  Ca  Ca1  1  0.50000000  0.12084400  0.23188600  1.0
  Ca  Ca2  1  0.50000000  0.11104300  0.87915600  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  0.57937900  0.95466200  1.0
  Ni  Ni6  1  0.00000000  0.37528300  0.42062100  1.0
  Ni  Ni7  1  0.00000000  0.04533800  0.62471700  1.0
  Ni  Ni8  1  0.00000000  0.86633100  0.17080700  1.0
  Ni  Ni9  1  0.00000000  0.30447700  0.13366900  1.0
  Ni  Ni10  1  0.00000000  0.82919300  0.69552300  1.0
  Ni  Ni11  1  0.50000000  0.94424400  0.39621100  1.0
  Ni  Ni12  1  0.50000000  0.45196700  0.05575600  1.0
  Ni  Ni13  1  0.50000000  0.60378900  0.54803300  1.0
  As  As14  1  0.50000000  0.71592100  0.14157600  1.0
  As  As15  1  0.50000000  0.42565600  0.28407900  1.0
  As  As16  1  0.50000000  0.85842400  0.57434400  1.0
  As  As17  1  0.00000000  0.00000000  0.00000000  1.0
  As  As18  1  0.00000000  0.57533000  0.67183700  1.0
  As  As19  1  0.00000000  0.09650700  0.42467000  1.0
  As  As20  1  0.00000000  0.32816300  0.90349300  1.0