data_[Ca1La1Nd2Sb4]
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
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8909]
_cell_length_b [4.5036]
_cell_length_c [7.9755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1647]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CaLa(NdSb2)2]
_chemical_formula_sum '[Ca1 La1 Nd2 Sb4]'
_cell_volume [267.7245]
_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  0.5000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Nd  Nd2  1  0.0000  0.5000  0.5000  1.0
  Nd  Nd3  1  0.5000  0.0000  0.5000  1.0
  Sb  Sb4  2  0.2485  0.0000  0.7454  1.0
  Sb  Sb5  2  0.2522  0.5000  0.2544  1.0
]