data_[Ca4Er2Ta2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Er  1.2400  1.7500  1.0300
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8342]
_cell_length_b [5.8057]
_cell_length_c [5.7074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2ErTaO6]
_chemical_formula_sum '[Ca4 Er2 Ta2 O12]'
_cell_volume [268.7307]
_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  4  0.2484  0.0000  0.7199  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Ta  Ta2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0673  0.2597  0.3323  1.0
  O  O4  4  0.2324  0.5000  0.8530  1.0
]