# generated using pymatgen
data_Cu16I19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23286968
_cell_length_b   4.23286968
_cell_length_c   67.07513432
_cell_angle_alpha   88.28905182
_cell_angle_beta   88.28905182
_cell_angle_gamma   60.30583740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu16I19
_chemical_formula_sum   'Cu16 I19'
_cell_volume   1043.35741663
_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
  Cu  Cu0  1  0.33352800  0.33352800  0.93223600  1.0
  Cu  Cu1  1  0.72225400  0.72225400  0.82925300  1.0
  Cu  Cu2  1  0.06830200  0.06830200  0.72390500  1.0
  Cu  Cu3  1  0.75097300  0.75097300  0.67012400  1.0
  Cu  Cu4  1  0.43494000  0.43494000  0.61726900  1.0
  Cu  Cu5  1  0.11935700  0.11935700  0.56462800  1.0
  Cu  Cu6  1  0.80350800  0.80350800  0.51201400  1.0
  Cu  Cu7  1  0.48738000  0.48738000  0.45937600  1.0
  Cu  Cu8  1  0.17178200  0.17178200  0.40675300  1.0
  Cu  Cu9  1  0.85582200  0.85582200  0.35409600  1.0
  Cu  Cu10  1  0.54009200  0.54009200  0.30145600  1.0
  Cu  Cu11  1  0.22444300  0.22444300  0.24880900  1.0
  Cu  Cu12  1  0.90865300  0.90865300  0.19614600  1.0
  Cu  Cu13  1  0.59280000  0.59280000  0.14352000  1.0
  Cu  Cu14  1  0.27694000  0.27694000  0.09061600  1.0
  Cu  Cu15  1  0.96014700  0.96014700  0.03653800  1.0
  I  I16  1  0.99351300  0.99351300  0.99988800  1.0
  I  I17  1  0.66689100  0.66689100  0.94706100  1.0
  I  I18  1  0.36062300  0.36062300  0.89532300  1.0
  I  I19  1  0.05659900  0.05659900  0.84438600  1.0
  I  I20  1  0.40188900  0.40188900  0.73603200  1.0
  I  I21  1  0.73253600  0.73253600  0.79225000  1.0
  I  I22  1  0.76770500  0.76770500  0.63062500  1.0
  I  I23  1  0.08361300  0.08361300  0.68321600  1.0
  I  I24  1  0.13627500  0.13627500  0.52554600  1.0
  I  I25  1  0.45208500  0.45208500  0.57808700  1.0
  I  I26  1  0.82022200  0.82022200  0.47296900  1.0
  I  I27  1  0.50471200  0.50471200  0.42036900  1.0
  I  I28  1  0.87304100  0.87304100  0.31513300  1.0
  I  I29  1  0.18876400  0.18876400  0.36775300  1.0
  I  I30  1  0.55734800  0.55734800  0.26252600  1.0
  I  I31  1  0.24159800  0.24159800  0.20992600  1.0
  I  I32  1  0.61016600  0.61016600  0.10491000  1.0
  I  I33  1  0.29488200  0.29488200  0.05241800  1.0
  I  I34  1  0.92578000  0.92578000  0.15737100  1.0