data_[Ca4La2Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.7057]
_cell_length_b [5.9374]
_cell_length_c [10.0282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Ca2LaTaO6]
_chemical_formula_sum '[Ca4 La2 Ta2 O12]'
_cell_volume [279.0614]
_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
[
  Ca  Ca0  2  0.2421  0.1988  0.2544  1.0
  Ca  Ca1  2  0.5012  0.2471  0.0004  1.0
  La  La2  2  0.7584  0.3022  0.7457  1.0
  Ta  Ta3  2  0.9992  0.2489  0.4988  1.0
  O  O4  2  0.1042  0.0340  0.9326  1.0
  O  O5  2  0.2364  0.4270  0.4484  1.0
  O  O6  2  0.3417  0.1968  0.7293  1.0
  O  O7  2  0.6571  0.3007  0.2707  1.0
  O  O8  2  0.7636  0.0730  0.5522  1.0
  O  O9  2  0.8962  0.4686  0.0676  1.0
]