data_[Ca4Tm8O16]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2753]
_cell_length_b [10.8940]
_cell_length_c [10.8427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CaTm2O4]
_chemical_formula_sum '[Ca4 Tm8 O16]'
_cell_volume [386.8871]
_cell_formula_units_Z [4]
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  0.0000  0.1115  0.7500  1.0
  Tm  Tm1  8  0.0000  0.3675  0.5738  1.0
  O  O2  8  0.0000  0.2652  0.1120  1.0
  O  O3  4  0.0000  0.0000  0.0000  1.0
  O  O4  4  0.0000  0.4638  0.7500  1.0
]