# generated using pymatgen
data_CaZrNi12As7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26576748
_cell_length_b   9.26602265
_cell_length_c   3.76335481
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00134956
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZrNi12As7
_chemical_formula_sum   'Ca1 Zr1 Ni12 As7'
_cell_volume   279.81735469
_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  0.66662586  0.33337338  0.50000100  1.0
  Zr  Zr1  1  0.33328600  0.66667035  0.00000000  1.0
  Ni  Ni2  1  0.15179496  0.28137237  0.00000000  1.0
  Ni  Ni3  1  0.71871558  0.87055191  0.00000000  1.0
  Ni  Ni4  1  0.12952813  0.84812192  0.00000000  1.0
  Ni  Ni5  1  0.37392416  0.42608794  0.50000100  1.0
  Ni  Ni6  1  0.57411213  0.94819366  0.50000100  1.0
  Ni  Ni7  1  0.05195233  0.62599657  0.50000100  1.0
  Ni  Ni8  1  0.43769322  0.05039337  0.00000000  1.0
  Ni  Ni9  1  0.94963021  0.38744700  0.00000000  1.0
  Ni  Ni10  1  0.61262749  0.56237949  0.00000000  1.0
  Ni  Ni11  1  0.21165569  0.09313548  0.50000100  1.0
  Ni  Ni12  1  0.90711876  0.11802297  0.50000100  1.0
  Ni  Ni13  1  0.88142850  0.78828783  0.50000100  1.0
  As  As14  1  0.00013327  0.99994105  0.00000000  1.0
  As  As15  1  0.11403987  0.41349113  0.50000100  1.0
  As  As16  1  0.58628356  0.70070910  0.50000100  1.0
  As  As17  1  0.29942542  0.88563914  0.50000100  1.0
  As  As18  1  0.40261214  0.28380801  0.00000000  1.0
  As  As19  1  0.71632421  0.11892667  0.00000000  1.0
  As  As20  1  0.88108852  0.59744865  0.00000000  1.0