# generated using pymatgen
data_CaNb5As4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.22463183
_cell_length_b   10.22463183
_cell_length_c   3.56351590
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb5As4
_chemical_formula_sum   'Ca2 Nb10 As8'
_cell_volume   372.54098567
_cell_formula_units_Z   2
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  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.50000000  1.0
  Nb  Nb2  1  0.13496114  0.81483065  0.50000000  1.0
  Nb  Nb3  1  0.86503886  0.18516935  0.50000000  1.0
  Nb  Nb4  1  0.18516935  0.13496114  0.50000000  1.0
  Nb  Nb5  1  0.81483065  0.86503886  0.50000000  1.0
  Nb  Nb6  1  0.39064149  0.70792137  0.00000000  1.0
  Nb  Nb7  1  0.60935851  0.29207863  0.00000000  1.0
  Nb  Nb8  1  0.29207863  0.39064149  0.00000000  1.0
  Nb  Nb9  1  0.70792137  0.60935851  0.00000000  1.0
  Nb  Nb10  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb11  1  0.00000000  0.00000000  0.00000000  1.0
  As  As12  1  0.25015945  0.58408629  0.50000000  1.0
  As  As13  1  0.74984055  0.41591371  0.50000000  1.0
  As  As14  1  0.41591371  0.25015945  0.50000000  1.0
  As  As15  1  0.58408629  0.74984055  0.50000000  1.0
  As  As16  1  0.27306156  0.95051905  0.00000000  1.0
  As  As17  1  0.72693844  0.04948095  0.00000000  1.0
  As  As18  1  0.04948095  0.27306156  0.00000000  1.0
  As  As19  1  0.95051905  0.72693844  0.00000000  1.0