data_[La2Gd2Si4Mo4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Gd  1.2000  1.8000  1.0750
  Si  1.9000  1.1000  0.5400
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2699]
_cell_length_b [3.9172]
_cell_length_c [7.3461]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.0562]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaGdSi2Mo2C]
_chemical_formula_sum '[La2 Gd2 Si4 Mo4 C2]'
_cell_volume [262.1806]
_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
[
  La  La0  2  0.0776  0.5000  0.3028  1
  Gd  Gd1  2  0.4263  0.0000  0.7049  1
  Si  Si2  2  0.1340  0.0000  0.6755  1
  Si  Si3  2  0.3665  0.5000  0.3291  1
  Mo  Mo4  2  0.2046  0.0000  0.0791  1
  Mo  Mo5  2  0.2940  0.5000  0.9188  1
  C  C6  2  0.4970  0.5000  0.9899  1
]