# generated using pymatgen
data_CsTaN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.23658215
_cell_length_b   6.21525545
_cell_length_c   6.23658224
_cell_angle_alpha   60.11305079
_cell_angle_beta   59.77390002
_cell_angle_gamma   60.11305481
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsTaN2
_chemical_formula_sum   'Cs2 Ta2 N4'
_cell_volume   170.93349925
_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
  Cs  Cs0  1  0.50000000  0.50000000  0.50000000  1.0
  Cs  Cs1  1  0.75000000  0.75000000  0.75000000  1.0
  Ta  Ta2  1  -0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta3  1  0.25000000  0.25000000  0.25000000  1.0
  N  N4  1  0.62500000  0.17642865  0.12500000  1.0
  N  N5  1  0.17642865  0.12500000  0.07357135  1.0
  N  N6  1  0.12500000  0.07357135  0.62500000  1.0
  N  N7  1  0.07357135  0.62500000  0.17642865  1.0