data_[Mg2Co4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [2.9357]
_cell_length_b [4.3317]
_cell_length_c [8.4513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [MgCo2Os]
_chemical_formula_sum '[Mg2 Co4 Os2]'
_cell_volume [107.4720]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.5000  1
  Co  Co1  4  0.0000  0.0000  0.2607  1
  Os  Os2  2  0.0000  0.5000  0.0000  1
]