# generated using pymatgen
data_LiCa3Zr3TaO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79924400
_cell_length_b   5.55991100
_cell_length_c   15.96838370
_cell_angle_alpha   89.87385390
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa3Zr3TaO12
_chemical_formula_sum   'Li2 Ca6 Zr6 Ta2 O24'
_cell_volume   514.87182707
_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
  Li  Li0  1  0.38031800  0.71472900  0.50040600  1
  Li  Li1  1  0.88031800  0.28527100  0.49959400  1
  Ca  Ca2  1  0.94481500  0.26328500  0.25784500  1
  Ca  Ca3  1  0.94431500  0.26986800  0.74112600  1
  Ca  Ca4  1  0.44481500  0.73671500  0.74215500  1
  Ca  Ca5  1  0.44431500  0.73013200  0.25887400  1
  Ca  Ca6  1  0.54797900  0.76705200  0.00014200  1
  Ca  Ca7  1  0.04797900  0.23294800  0.99985800  1
  Zr  Zr8  1  0.49516200  0.25440900  0.87301300  1
  Zr  Zr9  1  0.48013400  0.23311900  0.38142100  1
  Zr  Zr10  1  0.99516200  0.74559100  0.12698700  1
  Zr  Zr11  1  0.99616800  0.75121000  0.87216400  1
  Zr  Zr12  1  0.98013400  0.76688100  0.61857900  1
  Zr  Zr13  1  0.49616800  0.24879000  0.12783600  1
  Ta  Ta14  1  0.98765700  0.75332500  0.38001800  1
  Ta  Ta15  1  0.48765700  0.24667500  0.61998200  1
  O  O16  1  0.45411500  0.35618200  0.99986100  1
  O  O17  1  0.51342600  0.36804000  0.50401100  1
  O  O18  1  0.19016100  0.43839900  0.15664800  1
  O  O19  1  0.23241300  0.45956100  0.65016800  1
  O  O20  1  0.21490200  0.45713300  0.34768400  1
  O  O21  1  0.19125000  0.44411500  0.84225100  1
  O  O22  1  0.69125000  0.55588500  0.15774900  1
  O  O23  1  0.73241300  0.54043900  0.34983200  1
  O  O24  1  0.71490200  0.54286700  0.65231600  1
  O  O25  1  0.69016100  0.56160100  0.84335200  1
  O  O26  1  0.95411500  0.64381800  0.00013900  1
  O  O27  1  0.01342600  0.63196000  0.49598900  1
  O  O28  1  0.04106600  0.85802800  0.74530000  1
  O  O29  1  0.03457200  0.84732500  0.25749800  1
  O  O30  1  0.29611700  0.94738300  0.90289600  1
  O  O31  1  0.29618500  0.94210000  0.09896900  1
  O  O32  1  0.31854500  0.95720000  0.59747800  1
  O  O33  1  0.30600100  0.92003700  0.39856000  1
  O  O34  1  0.79618500  0.05790000  0.90103100  1
  O  O35  1  0.81854500  0.04280000  0.40252200  1
  O  O36  1  0.79611700  0.05261700  0.09710400  1
  O  O37  1  0.80600100  0.07996300  0.60144000  1
  O  O38  1  0.54106600  0.14197200  0.25470000  1
  O  O39  1  0.53457200  0.15267500  0.74250200  1
