data_[Mg6Co18P12]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5792]
_cell_length_b [3.5744]
_cell_length_c [8.8978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgCo3P2]
_chemical_formula_sum '[Mg6 Co18 P12]'
_cell_volume [442.6590]
_cell_formula_units_Z [6]
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  4  0.1586  0.0000  0.7006  1
  Mg  Mg1  2  0.0000  0.0000  0.0000  1
  Co  Co2  4  0.0358  0.0000  0.3238  1
  Co  Co3  4  0.1206  0.5000  0.2028  1
  Co  Co4  4  0.1817  0.5000  0.9631  1
  Co  Co5  4  0.2165  0.0000  0.3940  1
  Co  Co6  2  0.0000  0.5000  0.5000  1
  P  P7  4  0.0408  0.5000  0.7850  1
  P  P8  4  0.1382  0.5000  0.4535  1
  P  P9  4  0.1937  0.0000  0.1306  1
]