data_Li2CaTa2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72
_cell_length_b   9.72
_cell_length_c   9.72
_cell_angle_alpha   156.52
_cell_angle_beta   156.52
_cell_angle_gamma   33.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CaTa2O7
_chemical_formula_sum   'Li2 Ca1 Ta2 O7'
_cell_volume   145.62
_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
  Li  Li0  1  0.98  0.0  0.65  1.0
  Li  Li1  1  0.0  0.98  0.65  1.0
  Ca  Ca2  1  0.0  0.0  0.31  1.0
  Ta  Ta3  1  0.0  0.0  0.08  1.0
  Ta  Ta4  1  0.0  0.0  0.54  1.0
  O  O5  1  0.98  0.0  0.86  1.0
  O  O6  1  0.0  0.0  0.64  1.0
  O  O7  1  0.98  0.0  0.45  1.0
  O  O8  1  0.0  0.98  0.45  1.0
  O  O9  1  0.0  0.0  0.98  1.0
  O  O10  1  0.0  0.98  0.86  1.0
  O  O11  1  0.0  0.0  0.0  1.0

data_Li2CaTa2O7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   9.72
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Li2CaTa2O7
_chemical_formula_sum   'Li4 Ca2 Ta4 O14'
_cell_volume   291.25
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.49  0.49  0.32  1.0
  Ca  Ca1  2  0.0  0.0  0.69  1.0
  Ta  Ta2  2  0.0  0.0  0.46  1.0
  Ta  Ta3  2  0.0  0.0  0.92  1.0
  O  O4  4  0.49  0.49  0.12  1.0
  O  O5  4  0.49  0.49  0.52  1.0
  O  O6  2  0.0  0.0  0.0  1.0
  O  O7  2  0.0  0.0  0.02  1.0
  O  O8  2  0.0  0.0  0.36  1.0

Li Li Ca Ta Ta O O O O O O O