data_[La8Er8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.5785]
_cell_length_b [13.4912]
_cell_length_c [7.2501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [LaErOs]
_chemical_formula_sum '[La8 Er8 Os8]'
_cell_volume [643.4569]
_cell_formula_units_Z [8]
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  8  0.0000  0.1995  0.6119  1.0
  Er  Er1  8  0.2500  0.0306  0.2500  1.0
  Os  Os2  8  0.0000  0.1118  0.9564  1.0
]