data_[Y1Mg1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9178]
_cell_length_b [3.6232]
_cell_length_c [7.4861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YMgOs2]
_chemical_formula_sum '[Y1 Mg1 Os2]'
_cell_volume [79.1419]
_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
[
  Y  Y0  1  0.0000  0.0000  0.4653  1
  Mg  Mg1  1  0.5000  0.5000  0.8053  1
  Os  Os2  1  0.0000  0.0000  0.0418  1
  Os  Os3  1  0.5000  0.5000  0.1876  1
]