data_[Mg2Cr2O30]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.6175]
_cell_length_b [7.3751]
_cell_length_c [12.6603]
_cell_angle_alpha [101.6460]
_cell_angle_beta [91.1027]
_cell_angle_gamma [111.9107]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgCrO15]
_chemical_formula_sum '[Mg2 Cr2 O30]'
_cell_volume [474.0196]
_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  1  0.0000  0.0000  0.0000  1
  Mg  Mg1  1  0.0000  0.0000  0.5000  1
  Cr  Cr2  2  0.4225  0.6758  0.1950  1
  O  O3  2  0.0054  0.9436  0.7438  1
  O  O4  2  0.0201  0.9446  0.1652  1
  O  O5  2  0.0805  0.0099  0.3408  1
  O  O6  2  0.1889  0.7780  0.9211  1
  O  O7  2  0.2303  0.6684  0.4720  1
  O  O8  2  0.2402  0.5879  0.0777  1
  O  O9  2  0.2403  0.4252  0.6347  1
  O  O10  2  0.2626  0.5362  0.2788  1
  O  O11  2  0.2724  0.8482  0.5052  1
  O  O12  2  0.2763  0.2861  0.5529  1
  O  O13  2  0.2978  0.3561  0.8177  1
  O  O14  2  0.4100  0.1507  0.0131  1
  O  O15  2  0.4123  0.7762  0.9003  1
  O  O16  2  0.4213  0.5947  0.6521  1
  O  O17  2  0.4964  0.0806  0.7567  1
]