data_[Mg1Cr1Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6574]
_cell_length_b [4.4133]
_cell_length_c [5.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6234]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MgCrMo2]
_chemical_formula_sum '[Mg1 Cr1 Mo2]'
_cell_volume [61.1616]
_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  0.2778  0.5000  0.7466  1
  Cr  Cr1  1  0.5013  0.0000  0.4853  1
  Mo  Mo2  1  0.7408  0.5000  0.2586  1
  Mo  Mo3  1  0.9802  0.0000  0.0095  1
]