# generated using pymatgen
data_TiNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75051600
_cell_length_b   6.25430200
_cell_length_c   7.13502900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNiAs
_chemical_formula_sum   'Ti4 Ni4 As4'
_cell_volume   167.36537435
_cell_formula_units_Z   4
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
  Ti  Ti0  1  0.75000000  0.47367800  0.17910000  1.0
  Ti  Ti1  1  0.75000000  0.97367800  0.32090000  1.0
  Ti  Ti2  1  0.25000000  0.52632200  0.82090000  1.0
  Ti  Ti3  1  0.25000000  0.02632200  0.67910000  1.0
  Ni  Ni4  1  0.75000000  0.35367500  0.56196200  1.0
  Ni  Ni5  1  0.75000000  0.85367500  0.93803800  1.0
  Ni  Ni6  1  0.25000000  0.64632500  0.43803800  1.0
  Ni  Ni7  1  0.25000000  0.14632500  0.06196200  1.0
  As  As8  1  0.75000000  0.23539400  0.87807500  1.0
  As  As9  1  0.75000000  0.73539400  0.62192500  1.0
  As  As10  1  0.25000000  0.76460600  0.12192500  1.0
  As  As11  1  0.25000000  0.26460600  0.37807500  1.0