data_[Ca4Lu2Sb2O12]
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
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8125]
_cell_length_b [5.7625]
_cell_length_c [5.6954]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6223]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2LuSbO6]
_chemical_formula_sum '[Ca4 Lu2 Sb2 O12]'
_cell_volume [265.0190]
_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  0.2481  0.0000  0.7234  1.0
  Lu  Lu1  2  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.0000  0.5000  0.5000  1.0
  O  O3  8  0.0630  0.2583  0.3246  1.0
  O  O4  4  0.2365  0.5000  0.8494  1.0
]