# generated using pymatgen
data_Ca4Zr3TaO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.62979000
_cell_length_b   5.79975127
_cell_length_c   8.06478324
_cell_angle_alpha   90.45980080
_cell_angle_beta   90.04461590
_cell_angle_gamma   90.11293687
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4Zr3TaO12
_chemical_formula_sum   'Ca4 Zr3 Ta1 O12'
_cell_volume   263.31724174
_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
  Ca  Ca0  1  0.98788700  0.94720800  0.74808600  1.0
  Ca  Ca1  1  0.49005100  0.55069600  0.25195100  1.0
  Ca  Ca2  1  0.50994900  0.44930400  0.74804900  1.0
  Ca  Ca3  1  0.01211300  0.05279200  0.25191400  1.0
  Zr  Zr4  1  0.50000000  0.00000000  0.00000000  1.0
  Zr  Zr5  1  0.50000000  0.00000000  0.50000000  1.0
  Zr  Zr6  1  0.00000000  0.50000000  0.00000000  1.0
  Ta  Ta7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.60715100  0.96142000  0.25097600  1.0
  O  O9  1  0.19331700  0.78812000  0.44653000  1.0
  O  O10  1  0.19293600  0.80341800  0.05637600  1.0
  O  O11  1  0.69346700  0.69498000  0.94282500  1.0
  O  O12  1  0.70733300  0.69659800  0.55143200  1.0
  O  O13  1  0.09957700  0.53560700  0.74242800  1.0
  O  O14  1  0.90042300  0.46439300  0.25757200  1.0
  O  O15  1  0.29266700  0.30340200  0.44856800  1.0
  O  O16  1  0.30653300  0.30502000  0.05717500  1.0
  O  O17  1  0.80706400  0.19658200  0.94362400  1.0
  O  O18  1  0.80668300  0.21188000  0.55347000  1.0
  O  O19  1  0.39284900  0.03858000  0.74902400  1.0