data_[Ca1La1Sn2Ru2]
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
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.5984]
_cell_length_b [4.5984]
_cell_length_c [6.9671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [CaLa(SnRu)2]
_chemical_formula_sum '[Ca1 La1 Sn2 Ru2]'
_cell_volume [147.3234]
_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  0.0000  0.0000  0.2015  1
  La  La1  1  0.5000  0.5000  0.7962  1
  Sn  Sn2  1  0.0000  0.0000  0.7040  1
  Sn  Sn3  1  0.5000  0.5000  0.2966  1
  Ru  Ru4  2  0.0000  0.5000  0.5009  1
]