data_[Ca4Sm2W2O12]
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
  W  2.3600  1.3500  0.7667
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6939]
_cell_length_b [5.8970]
_cell_length_c [10.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2SmWO6]
_chemical_formula_sum '[Ca4 Sm2 W2 O12]'
_cell_volume [277.2556]
_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  4  0.2657  0.0510  0.2561  1
  Sm  Sm1  2  0.5000  0.0000  0.0000  1
  W  W2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1174  0.0571  0.7332  1
  O  O4  4  0.2300  0.7190  0.5656  1
  O  O5  4  0.3523  0.1776  0.5571  1
]