data_[Ca2Lu2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Lu  1.2700  1.7500  1.0010
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8244]
_cell_length_b [9.2038]
_cell_length_c [4.8140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaLuSi2O7]
_chemical_formula_sum '[Ca2 Lu2 Si4 O14]'
_cell_volume [295.7797]
_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  0.3062  0.5000  1.0
  Lu  Lu1  2  0.0000  0.6919  0.5000  1.0
  Si  Si2  4  0.2140  0.0042  0.8963  1.0
  O  O3  4  0.1227  0.5058  0.7986  1.0
  O  O4  4  0.2109  0.8511  0.7238  1.0
  O  O5  4  0.2464  0.1442  0.7010  1.0
  O  O6  2  0.0000  0.0304  0.0000  1.0
]