data_[Ca4Mg4Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.2038]
_cell_length_b [4.5932]
_cell_length_c [7.4078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.9650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaMgOs]
_chemical_formula_sum '[Ca4 Mg4 Os4]'
_cell_volume [273.7177]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0782  0.5000  0.3378  1
  Mg  Mg1  4  0.1925  0.0000  0.1039  1
  Os  Os2  4  0.1251  0.0000  0.6898  1
]