data_[Y1Mg14Mn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [6.4446]
_cell_length_b [6.4446]
_cell_length_c [10.2768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [YMg14Mn]
_chemical_formula_sum '[Y1 Mg14 Mn1]'
_cell_volume [369.6396]
_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
[
  Y  Y0  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  6  0.1648  0.3295  0.2404  1.0
  Mg  Mg2  3  0.0115  0.5058  0.5000  1.0
  Mg  Mg3  3  0.5006  0.4994  0.0000  1.0
  Mg  Mg4  2  0.6667  0.3333  0.7452  1.0
  Mn  Mn5  1  0.0000  0.0000  0.0000  1.0
]