data_[Ca2Tm2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.8831]
_cell_length_b [9.2027]
_cell_length_c [4.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8162]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaTmSi2O7]
_chemical_formula_sum '[Ca2 Tm2 Si4 O14]'
_cell_volume [298.7422]
_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  0.3057  0.5000  1.0
  Tm  Tm1  2  0.0000  0.6922  0.5000  1.0
  Si  Si2  4  0.2140  0.0042  0.9001  1.0
  O  O3  4  0.1244  0.5047  0.7951  1.0
  O  O4  4  0.2129  0.8525  0.7262  1.0
  O  O5  4  0.2462  0.1448  0.7077  1.0
  O  O6  2  0.0000  0.0290  0.0000  1.0
]