data_[La2Cr4Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3274]
_cell_length_b [3.0768]
_cell_length_c [5.4548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0625]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCr2Os]
_chemical_formula_sum '[La2 Cr4 Os2]'
_cell_volume [151.8534]
_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  0.0000  0.5000  0.0000  1
  Cr  Cr1  4  0.2182  0.5000  0.6202  1
  Os  Os2  2  0.0000  0.0000  0.5000  1
]