# generated using pymatgen
data_Cu3BSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30441524
_cell_length_b   6.38845679
_cell_length_c   7.36608303
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3BSe4
_chemical_formula_sum   'Cu6 B2 Se8'
_cell_volume   296.67256197
_cell_formula_units_Z   2
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  0.91219799  0.82764292  0.24689525  1.0
  Cu  Cu1  1  0.41219799  0.17235708  0.25310475  1.0
  Cu  Cu2  1  0.41219799  0.17235708  0.74689525  1.0
  Cu  Cu3  1  0.91219799  0.82764292  0.75310475  1.0
  Cu  Cu4  1  0.40992623  0.64865392  0.50000000  1.0
  Cu  Cu5  1  0.90992623  0.35134608  0.00000000  1.0
  B  B6  1  0.40110458  0.66958094  0.00000000  1.0
  B  B7  1  0.90110458  0.33041906  0.50000000  1.0
  Se  Se8  1  0.28867378  0.81972279  0.77043889  1.0
  Se  Se9  1  0.78867378  0.18027721  0.72956111  1.0
  Se  Se10  1  0.78649840  0.63453936  0.50000000  1.0
  Se  Se11  1  0.28649840  0.36546064  0.00000000  1.0
  Se  Se12  1  0.78867378  0.18027721  0.27043889  1.0
  Se  Se13  1  0.28867378  0.81972279  0.22956111  1.0
  Se  Se14  1  0.73148625  0.67691581  0.00000000  1.0
  Se  Se15  1  0.23148625  0.32308419  0.50000000  1.0