# generated using pymatgen
data_CaScNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09896260
_cell_length_b   4.09896227
_cell_length_c   13.55828055
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001069
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaScNiAs2
_chemical_formula_sum   'Ca2 Sc2 Ni2 As4'
_cell_volume   197.28000825
_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  0.66666700  0.33333300  0.34538801  1.0
  Ca  Ca1  1  0.33333300  0.66666700  0.84538801  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.61692006  1.0
  Sc  Sc3  1  0.33333300  0.66666700  0.11692006  1.0
  Ni  Ni4  1  0.00000000  0.00000000  0.02502294  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.52502294  1.0
  As  As6  1  0.66666700  0.33333300  0.98632171  1.0
  As  As7  1  0.33333300  0.66666700  0.48632171  1.0
  As  As8  1  0.00000000  0.00000000  0.71067727  1.0
  As  As9  1  0.00000000  0.00000000  0.21067727  1.0