data_[Ca2Sm2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9534]
_cell_length_b [9.4533]
_cell_length_c [4.8646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6403]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaSmSi2O7]
_chemical_formula_sum '[Ca2 Sm2 Si4 O14]'
_cell_volume [313.1866]
_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  0.3101  0.5000  1.0
  Sm  Sm1  2  0.0000  0.6962  0.5000  1.0
  Si  Si2  4  0.2130  0.0036  0.8966  1.0
  O  O3  4  0.1264  0.5041  0.8035  1.0
  O  O4  4  0.2252  0.8592  0.7167  1.0
  O  O5  4  0.2339  0.1458  0.7135  1.0
  O  O6  2  0.0000  0.0076  0.0000  1.0
]