# generated using pymatgen
data_BaCu2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94281600
_cell_length_b   7.05304700
_cell_length_c   13.19087100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Si2O7
_chemical_formula_sum   'Ba4 Cu8 Si8 O28'
_cell_volume   645.93067086
_cell_formula_units_Z   4
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  0.98614300  0.95998300  0.75000000  1.0
  Ba  Ba1  1  0.48614300  0.54001700  0.75000000  1.0
  Ba  Ba2  1  0.51385700  0.45998300  0.25000000  1.0
  Ba  Ba3  1  0.01385700  0.04001700  0.25000000  1.0
  Cu  Cu4  1  0.77915200  0.20817700  0.49527100  1.0
  Cu  Cu5  1  0.27915200  0.29182300  0.00472900  1.0
  Cu  Cu6  1  0.72084800  0.70817700  0.50472900  1.0
  Cu  Cu7  1  0.22084800  0.79182300  0.99527100  1.0
  Cu  Cu8  1  0.22084800  0.79182300  0.50472900  1.0
  Cu  Cu9  1  0.72084800  0.70817700  0.99527100  1.0
  Cu  Cu10  1  0.27915200  0.29182300  0.49527100  1.0
  Cu  Cu11  1  0.77915200  0.20817700  0.00472900  1.0
  Si  Si12  1  0.00126300  0.52487500  0.36683900  1.0
  Si  Si13  1  0.50126300  0.97512500  0.13316100  1.0
  Si  Si14  1  0.49873700  0.02487500  0.63316100  1.0
  Si  Si15  1  0.99873700  0.47512500  0.86683900  1.0
  Si  Si16  1  0.99873700  0.47512500  0.63316100  1.0
  Si  Si17  1  0.49873700  0.02487500  0.86683900  1.0
  Si  Si18  1  0.50126300  0.97512500  0.36683900  1.0
  Si  Si19  1  0.00126300  0.52487500  0.13316100  1.0
  O  O20  1  0.81840300  0.46893300  0.44318400  1.0
  O  O21  1  0.31840300  0.03106700  0.05681600  1.0
  O  O22  1  0.68159700  0.96893300  0.55681600  1.0
  O  O23  1  0.18159700  0.53106700  0.94318400  1.0
  O  O24  1  0.18159700  0.53106700  0.55681600  1.0
  O  O25  1  0.68159700  0.96893300  0.94318400  1.0
  O  O26  1  0.31840300  0.03106700  0.44318400  1.0
  O  O27  1  0.81840300  0.46893300  0.05681600  1.0
  O  O28  1  0.07015400  0.74342200  0.38497300  1.0
  O  O29  1  0.57015400  0.75657800  0.11502700  1.0
  O  O30  1  0.42984600  0.24342200  0.61502700  1.0
  O  O31  1  0.92984600  0.25657800  0.88497300  1.0
  O  O32  1  0.92984600  0.25657800  0.61502700  1.0
  O  O33  1  0.42984600  0.24342200  0.88497300  1.0
  O  O34  1  0.57015400  0.75657800  0.38497300  1.0
  O  O35  1  0.07015400  0.74342200  0.11502700  1.0
  O  O36  1  0.17146500  0.36355300  0.36569200  1.0
  O  O37  1  0.67146500  0.13644700  0.13430800  1.0
  O  O38  1  0.32853500  0.86355300  0.63430800  1.0
  O  O39  1  0.82853500  0.63644700  0.86569200  1.0
  O  O40  1  0.90552700  0.51475800  0.25000000  1.0
  O  O41  1  0.40552700  0.98524200  0.25000000  1.0
  O  O42  1  0.59447300  0.01475800  0.75000000  1.0
  O  O43  1  0.09447300  0.48524200  0.75000000  1.0
  O  O44  1  0.17146500  0.36355300  0.13430800  1.0
  O  O45  1  0.67146500  0.13644700  0.36569200  1.0
  O  O46  1  0.32853500  0.86355300  0.86569200  1.0
  O  O47  1  0.82853500  0.63644700  0.63430800  1.0