data_[Mg10Cr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2633]
_cell_length_b [2.9820]
_cell_length_c [7.3463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mg5Cr]
_chemical_formula_sum '[Mg10 Cr2]'
_cell_volume [237.8559]
_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  0.0102  0.0000  0.9731  1
  Mg  Mg1  2  0.1624  0.5000  0.3471  1
  Mg  Mg2  2  0.2742  0.0000  0.0425  1
  Mg  Mg3  2  0.3235  0.0000  0.6738  1
  Mg  Mg4  2  0.4499  0.5000  0.4146  1
  Cr  Cr5  2  0.1111  0.5000  0.7158  1
]