# generated using pymatgen
data_Ba(Cu2As)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93316680
_cell_length_b   7.63778534
_cell_length_c   7.63778441
_cell_angle_alpha   86.19871039
_cell_angle_beta   75.07935601
_cell_angle_gamma   75.07937322
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Cu2As)4
_chemical_formula_sum   'Ba1 Cu8 As4'
_cell_volume   214.23294287
_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
  Ba  Ba0  1  -0.00000000  0.00000000  -0.00000000  1.0
  Cu  Cu1  1  0.62526878  0.39198426  0.35747818  1.0
  Cu  Cu2  1  0.21433692  0.45676074  0.11456442  1.0
  Cu  Cu3  1  0.32890234  0.88543558  0.45676074  1.0
  Cu  Cu4  1  0.67109766  0.11456442  0.54323926  1.0
  Cu  Cu5  1  0.78566308  0.54323926  0.88543558  1.0
  Cu  Cu6  1  0.37473122  0.60801574  0.64252182  1.0
  Cu  Cu7  1  0.01725304  0.35747818  0.60801574  1.0
  Cu  Cu8  1  0.98274696  0.64252182  0.39198426  1.0
  As  As9  1  0.42771438  0.33077088  0.81379837  1.0
  As  As10  1  0.24151274  0.18620163  0.33077088  1.0
  As  As11  1  0.75848726  0.81379837  0.66922912  1.0
  As  As12  1  0.57228562  0.66922912  0.18620163  1.0