# generated using pymatgen
data_Ca6Tc2N6F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08115571
_cell_length_b   6.08115528
_cell_length_c   6.08115586
_cell_angle_alpha   96.01896212
_cell_angle_beta   96.01897898
_cell_angle_gamma   96.01897946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Tc2N6F
_chemical_formula_sum   'Ca6 Tc2 N6 F1'
_cell_volume   220.88002499
_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  0.63415502  0.11234974  0.79075634  1.0
  Ca  Ca1  1  0.11234974  0.79075634  0.63415502  1.0
  Ca  Ca2  1  0.79075634  0.63415502  0.11234974  1.0
  Ca  Ca3  1  0.36584498  0.88765026  0.20924366  1.0
  Ca  Ca4  1  0.88765026  0.20924366  0.36584498  1.0
  Ca  Ca5  1  0.20924366  0.36584498  0.88765026  1.0
  Tc  Tc6  1  0.62247439  0.62247439  0.62247439  1.0
  Tc  Tc7  1  0.37752561  0.37752561  0.37752561  1.0
  N  N8  1  0.73165974  0.86059570  0.46842996  1.0
  N  N9  1  0.86059570  0.46842996  0.73165974  1.0
  N  N10  1  0.46842996  0.73165974  0.86059570  1.0
  N  N11  1  0.26834026  0.13940430  0.53157004  1.0
  N  N12  1  0.13940430  0.53157004  0.26834026  1.0
  N  N13  1  0.53157004  0.26834026  0.13940430  1.0
  F  F14  1  0.00000000  0.00000000  0.00000000  1.0