# generated using pymatgen
data_Ba(Cu2As)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22776420
_cell_length_b   4.22776420
_cell_length_c   8.60432523
_cell_angle_alpha   75.77816710
_cell_angle_beta   75.77816710
_cell_angle_gamma   59.99999694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(Cu2As)2
_chemical_formula_sum   'Ba1 Cu4 As2'
_cell_volume   127.71751468
_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  0.44341700  0.44341700  0.66974900  1.0
  Cu  Cu2  1  0.14443100  0.14443100  0.56670700  1.0
  Cu  Cu3  1  0.55658300  0.55658300  0.33025100  1.0
  Cu  Cu4  1  0.85556900  0.85556900  0.43329300  1.0
  As  As5  1  0.24364400  0.24364400  0.26906800  1.0
  As  As6  1  0.75635600  0.75635600  0.73093200  1.0