data_[Ce10Sb10As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.0164]
_cell_length_b [6.2337]
_cell_length_c [8.8099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7047]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5Sb5As]
_chemical_formula_sum '[Ce10 Sb10 As2]'
_cell_volume [729.0959]
_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
[
  Ce  Ce0  4  0.1601  0.0000  0.8366  1
  Ce  Ce1  4  0.1618  0.0000  0.3266  1
  Ce  Ce2  2  0.0000  0.5000  0.0000  1
  Sb  Sb3  4  0.1642  0.5000  0.8279  1
  Sb  Sb4  4  0.1722  0.5000  0.3345  1
  Sb  Sb5  2  0.0000  0.0000  0.5000  1
  As  As6  2  0.0000  0.0000  0.0000  1
]