data_[Ca2La1Ce1Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7218]
_cell_length_b [4.6284]
_cell_length_c [8.0252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2LaCeSb4]
_chemical_formula_sum '[Ca2 La1 Ce1 Sb4]'
_cell_volume [268.8307]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1.0
  Ca  Ca1  1  0.5000  0.5000  0.0000  1.0
  La  La2  1  0.0000  0.5000  0.5000  1.0
  Ce  Ce3  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb4  2  0.2404  0.5000  0.2395  1.0
  Sb  Sb5  2  0.2460  0.0000  0.7564  1.0
]