# generated using pymatgen
data_CaCu2(TeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72893543
_cell_length_b   8.80362700
_cell_length_c   13.20288158
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.25958938
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2(TeO4)2
_chemical_formula_sum   'Ca4 Cu8 Te8 O32'
_cell_volume   781.93700790
_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
  Ca  Ca0  1  0.12672100  0.15874900  0.04489900  1.0
  Ca  Ca1  1  0.87327900  0.84125100  0.95510100  1.0
  Ca  Ca2  1  0.87327900  0.65874900  0.45510100  1.0
  Ca  Ca3  1  0.12672100  0.34125100  0.54489900  1.0
  Cu  Cu4  1  0.72729200  0.19309200  0.88339000  1.0
  Cu  Cu5  1  0.39640300  0.05350900  0.62978000  1.0
  Cu  Cu6  1  0.60359700  0.94649100  0.37022000  1.0
  Cu  Cu7  1  0.27270800  0.80690800  0.11661000  1.0
  Cu  Cu8  1  0.72729200  0.30690800  0.38339000  1.0
  Cu  Cu9  1  0.39640300  0.44649100  0.12978000  1.0
  Cu  Cu10  1  0.27270800  0.69309200  0.61661000  1.0
  Cu  Cu11  1  0.60359700  0.55350900  0.87022000  1.0
  Te  Te12  1  0.08746400  0.45578400  0.84192900  1.0
  Te  Te13  1  0.08746400  0.04421600  0.34192900  1.0
  Te  Te14  1  0.64677200  0.10750800  0.14189100  1.0
  Te  Te15  1  0.91253600  0.95578400  0.65807100  1.0
  Te  Te16  1  0.35322800  0.89249200  0.85810900  1.0
  Te  Te17  1  0.35322800  0.60750800  0.35810900  1.0
  Te  Te18  1  0.64677200  0.39249200  0.64189100  1.0
  Te  Te19  1  0.91253600  0.54421600  0.15807100  1.0
  O  O20  1  0.01434800  0.23686400  0.38947900  1.0
  O  O21  1  0.67164800  0.01484100  0.59721800  1.0
  O  O22  1  0.21002200  0.58653500  0.49296500  1.0
  O  O23  1  0.78997800  0.08653500  0.00703500  1.0
  O  O24  1  0.01434800  0.26313600  0.88947900  1.0
  O  O25  1  0.98565200  0.76313600  0.61052100  1.0
  O  O26  1  0.10121800  0.09431800  0.61034600  1.0
  O  O27  1  0.52320000  0.91644900  0.14166400  1.0
  O  O28  1  0.52320000  0.58355100  0.64166400  1.0
  O  O29  1  0.34442500  0.86743800  0.69575800  1.0
  O  O30  1  0.65557500  0.36743800  0.80424200  1.0
  O  O31  1  0.47680000  0.08355100  0.85833600  1.0
  O  O32  1  0.89878200  0.90568200  0.38965400  1.0
  O  O33  1  0.90515600  0.53305200  0.29726800  1.0
  O  O34  1  0.43012100  0.26666600  0.59838200  1.0
  O  O35  1  0.43012100  0.23333400  0.09838200  1.0
  O  O36  1  0.09484400  0.03305200  0.20273200  1.0
  O  O37  1  0.47680000  0.41644900  0.35833600  1.0
  O  O38  1  0.09484400  0.46694800  0.70273200  1.0
  O  O39  1  0.78997800  0.41346500  0.50703500  1.0
  O  O40  1  0.67164800  0.48515900  0.09721800  1.0
  O  O41  1  0.65557500  0.13256200  0.30424200  1.0
  O  O42  1  0.98565200  0.73686400  0.11052100  1.0
  O  O43  1  0.10121800  0.40568200  0.11034600  1.0
  O  O44  1  0.21002200  0.91346500  0.99296500  1.0
  O  O45  1  0.56987800  0.76666600  0.90161800  1.0
  O  O46  1  0.32835200  0.98515900  0.40278200  1.0
  O  O47  1  0.32835200  0.51484100  0.90278200  1.0
  O  O48  1  0.89878200  0.59431800  0.88965400  1.0
  O  O49  1  0.56987800  0.73333400  0.40161800  1.0
  O  O50  1  0.34442500  0.63256200  0.19575800  1.0
  O  O51  1  0.90515600  0.96694800  0.79726800  1.0