# generated using pymatgen
data_Ca6Tc2N6Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16264264
_cell_length_b   6.16264301
_cell_length_c   6.16264251
_cell_angle_alpha   95.95857710
_cell_angle_beta   95.95858548
_cell_angle_gamma   95.95858151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6Tc2N6Cl
_chemical_formula_sum   'Ca6 Tc2 N6 Cl1'
_cell_volume   229.96520195
_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  0.61261705  0.11224566  0.78414382  1.0
  Ca  Ca1  1  0.11224566  0.78414382  0.61261705  1.0
  Ca  Ca2  1  0.78414382  0.61261705  0.11224566  1.0
  Ca  Ca3  1  0.38738295  0.88775434  0.21585618  1.0
  Ca  Ca4  1  0.88775434  0.21585618  0.38738295  1.0
  Ca  Ca5  1  0.21585618  0.38738295  0.88775434  1.0
  Tc  Tc6  1  0.62211387  0.62211387  0.62211387  1.0
  Tc  Tc7  1  0.37788613  0.37788613  0.37788613  1.0
  N  N8  1  0.72926286  0.85769439  0.46933386  1.0
  N  N9  1  0.85769439  0.46933386  0.72926286  1.0
  N  N10  1  0.46933386  0.72926286  0.85769439  1.0
  N  N11  1  0.27073714  0.14230561  0.53066614  1.0
  N  N12  1  0.14230561  0.53066614  0.27073714  1.0
  N  N13  1  0.53066614  0.27073714  0.14230561  1.0
  Cl  Cl14  1  0.00000000  0.00000000  0.00000000  1.0