data_[La2Cr6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.1787]
_cell_length_b [4.1013]
_cell_length_c [7.2624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaCr3]
_chemical_formula_sum '[La2 Cr6]'
_cell_volume [144.1245]
_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  0.2855  0.7500  0.5897  1
  Cr  Cr1  2  0.0687  0.2500  0.1580  1
  Cr  Cr2  2  0.2688  0.2500  0.9320  1
  Cr  Cr3  2  0.3014  0.7500  0.1199  1
]