data_[Nd1Y1Si4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4595]
_cell_length_b [4.1191]
_cell_length_c [8.1934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NdY(Si2Os)2]
_chemical_formula_sum '[Nd1 Y1 Si4 Os2]'
_cell_volume [147.2626]
_cell_formula_units_Z [1]
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
[
  Nd  Nd0  1  0.5872  0.0000  0.6992  1
  Y  Y1  1  0.4082  0.5000  0.2951  1
  Si  Si2  1  0.0387  0.5000  0.5903  1
  Si  Si3  1  0.3355  0.0000  0.0071  1
  Si  Si4  1  0.6660  0.5000  0.9968  1
  Si  Si5  1  0.9624  0.0000  0.4087  1
  Os  Os6  1  0.1182  0.5000  0.8868  1
  Os  Os7  1  0.8838  0.0000  0.1159  1
]