data_[Mg1Cr2O4]
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 [Pm]
_cell_length_a [5.1563]
_cell_length_b [2.9873]
_cell_length_c [5.2423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2077]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgCr2O4]
_chemical_formula_sum '[Mg1 Cr2 O4]'
_cell_volume [77.9203]
_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
[
  Mg  Mg0  1  0.2693  0.5000  0.8636  1
  Cr  Cr1  1  0.5238  0.5000  0.4719  1
  Cr  Cr2  1  0.8952  0.0000  0.0568  1
  O  O3  1  0.1523  0.5000  0.2104  1
  O  O4  1  0.3906  0.0000  0.6802  1
  O  O5  1  0.6270  0.0000  0.2578  1
  O  O6  1  0.8501  0.5000  0.7788  1
]