data_[La4Re4B4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1116]
_cell_length_b [3.7546]
_cell_length_c [6.9880]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8564]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Re2B2C]
_chemical_formula_sum '[La4 Re4 B4 C2]'
_cell_volume [242.1054]
_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  4  0.0724  0.5000  0.3314  1
  Re  Re1  4  0.1998  0.0000  0.0858  1
  B  B2  4  0.1945  0.0000  0.7641  1
  C  C3  2  0.0000  0.0000  0.0000  1
]