data_[Ca2Mg4Ti4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9382]
_cell_length_b [16.4277]
_cell_length_c [4.2595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaMg2Ti2O7]
_chemical_formula_sum '[Ca2 Mg4 Ti4 O14]'
_cell_volume [275.5770]
_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  0.0000  0.0000  0.8903  1.0
  Mg  Mg1  4  0.0000  0.2540  0.5037  1.0
  Ti  Ti2  4  0.0000  0.3877  0.9540  1.0
  O  O3  4  0.0000  0.1163  0.5208  1.0
  O  O4  4  0.0000  0.2675  0.0110  1.0
  O  O5  4  0.0000  0.3868  0.5334  1.0
  O  O6  2  0.0000  0.5000  0.0644  1.0
]