# generated using pymatgen
data_Cu29Se19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03782508
_cell_length_b   4.03782514
_cell_length_c   76.70165803
_cell_angle_alpha   60.00478037
_cell_angle_beta   60.00477987
_cell_angle_gamma   59.97669355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu29Se19
_chemical_formula_sum   'Cu29 Se19'
_cell_volume   884.17772888
_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  0.24356900  0.24356900  0.06681100  1.0
  Cu  Cu1  1  0.75706900  0.75706900  0.03835800  1.0
  Cu  Cu2  1  0.74187100  0.74187100  0.09338500  1.0
  Cu  Cu3  1  0.73920200  0.73920200  0.14644100  1.0
  Cu  Cu4  1  0.74981700  0.74981700  0.19741200  1.0
  Cu  Cu5  1  0.74936800  0.74936800  0.25010100  1.0
  Cu  Cu6  1  0.74947600  0.74947600  0.30270500  1.0
  Cu  Cu7  1  0.74943900  0.74943900  0.35535500  1.0
  Cu  Cu8  1  0.74943200  0.74943200  0.40799000  1.0
  Cu  Cu9  1  0.24415400  0.24415400  0.48776700  1.0
  Cu  Cu10  1  0.76738700  0.76738700  0.45777300  1.0
  Cu  Cu11  1  0.25612300  0.25612300  0.59113400  1.0
  Cu  Cu12  1  0.74076700  0.74076700  0.51462700  1.0
  Cu  Cu13  1  0.25340100  0.25340100  0.64417900  1.0
  Cu  Cu14  1  0.75618700  0.75618700  0.56481700  1.0
  Cu  Cu15  1  0.25214100  0.25214100  0.69701900  1.0
  Cu  Cu16  1  0.76096500  0.76096500  0.61668700  1.0
  Cu  Cu17  1  0.25162700  0.25162700  0.74974700  1.0
  Cu  Cu18  1  0.75001100  0.75001100  0.67105400  1.0
  Cu  Cu19  1  0.74938100  0.74938100  0.72379400  1.0
  Cu  Cu20  1  0.25127000  0.25127000  0.80241500  1.0
  Cu  Cu21  1  0.74892300  0.74892300  0.77647500  1.0
  Cu  Cu22  1  0.25065500  0.25065500  0.85515200  1.0
  Cu  Cu23  1  0.74857400  0.74857400  0.82918100  1.0
  Cu  Cu24  1  0.24847100  0.24847100  0.90814900  1.0
  Cu  Cu25  1  0.74800900  0.74800900  0.88190200  1.0
  Cu  Cu26  1  0.24135000  0.24135000  0.96188900  1.0
  Cu  Cu27  1  0.74709800  0.74709800  0.93465600  1.0
  Cu  Cu28  1  0.72868000  0.72868000  0.99021100  1.0
  Se  Se29  1  0.99866300  0.99866300  0.00021900  1.0
  Se  Se30  1  0.00916300  0.00916300  0.05123000  1.0
  Se  Se31  1  0.99356400  0.99356400  0.10624200  1.0
  Se  Se32  1  0.99999000  0.99999000  0.15788900  1.0
  Se  Se33  1  0.99938400  0.99938400  0.21066300  1.0
  Se  Se34  1  0.00035400  0.00035400  0.26307900  1.0
  Se  Se35  1  0.00093600  0.00093600  0.31562200  1.0
  Se  Se36  1  0.00548700  0.00548700  0.42018200  1.0
  Se  Se37  1  0.00139000  0.00139000  0.36822900  1.0
  Se  Se38  1  0.99758400  0.99758400  0.52671500  1.0
  Se  Se39  1  0.00941800  0.00941800  0.47218100  1.0
  Se  Se40  1  0.01066900  0.01066900  0.57727300  1.0
  Se  Se41  1  0.99706200  0.99706200  0.63199900  1.0
  Se  Se42  1  0.99781000  0.99781000  0.68456300  1.0
  Se  Se43  1  0.99970200  0.99970200  0.78948400  1.0
  Se  Se44  1  0.99891900  0.99891900  0.73703700  1.0
  Se  Se45  1  0.00142500  0.00142500  0.84190100  1.0
  Se  Se46  1  0.00288600  0.00288600  0.89432000  1.0
  Se  Se47  1  0.00117800  0.00117800  0.94714500  1.0