data_[Mg3Co1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.8971]
_cell_length_b [4.4327]
_cell_length_c [5.7377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg3Co]
_chemical_formula_sum '[Mg3 Co1]'
_cell_volume [71.3572]
_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  2  0.2033  0.5000  0.7741  1
  Mg  Mg1  1  0.5000  0.0000  0.5000  1
  Co  Co2  1  0.0000  0.0000  0.0000  1
]