# generated using pymatgen
data_Ca7Tl3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84781044
_cell_length_b   4.93106563
_cell_length_c   12.60396886
_cell_angle_alpha   101.28069595
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca7Tl3N2
_chemical_formula_sum   'Ca7 Tl3 N2'
_cell_volume   295.47539841
_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  0.00000000  0.40003809  0.80007618  1.0
  Ca  Ca1  1  0.00000000  0.80328386  0.60656572  1.0
  Ca  Ca2  1  0.00000000  -0.00000000  -0.00000000  1.0
  Ca  Ca3  1  0.00000000  0.59996191  0.19992382  1.0
  Ca  Ca4  1  0.50000000  0.09838927  0.19677955  1.0
  Ca  Ca5  1  0.50000000  0.90161073  0.80322045  1.0
  Ca  Ca6  1  0.00000000  0.19671614  0.39343428  1.0
  Tl  Tl7  1  0.50000000  0.50000000  -0.00000000  1.0
  Tl  Tl8  1  0.50000000  0.70651738  0.41303377  1.0
  Tl  Tl9  1  0.50000000  0.29348262  0.58696623  1.0
  N  N10  1  0.00000000  0.89757359  0.79514818  1.0
  N  N11  1  0.00000000  0.10242641  0.20485182  1.0