data_[K2Ca2Ta2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1837]
_cell_length_b [6.2662]
_cell_length_c [7.3968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KCaTaO4]
_chemical_formula_sum '[K2 Ca2 Ta2 O8]'
_cell_volume [277.8589]
_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
[
  K  K0  2  0.2942  0.2500  0.0737  1
  Ca  Ca1  2  0.1827  0.2500  0.5434  1
  Ta  Ta2  2  0.2873  0.7500  0.3447  1
  O  O3  4  0.0851  0.5211  0.3241  1
  O  O4  2  0.4832  0.7500  0.5776  1
  O  O5  2  0.4844  0.7500  0.1891  1
]