data_[Sr2Mg1Co1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.6892]
_cell_length_b [3.6892]
_cell_length_c [8.9337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sr2MgCo]
_chemical_formula_sum '[Sr2 Mg1 Co1]'
_cell_volume [121.5905]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.9346  1
  Sr  Sr1  1  0.5000  0.5000  0.3275  1
  Mg  Mg2  1  0.5000  0.5000  0.6713  1
  Co  Co3  1  0.0000  0.0000  0.5667  1
]