data_[Y2Mg2Mn6]
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 [Imm2]
_cell_length_a [3.5461]
_cell_length_b [5.1844]
_cell_length_c [9.1603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [YMgMn3]
_chemical_formula_sum '[Y2 Mg2 Mn6]'
_cell_volume [168.4078]
_cell_formula_units_Z [2]
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  2  0.0000  0.5000  0.3892  1
  Mg  Mg1  2  0.0000  0.5000  0.9592  1
  Mn  Mn2  4  0.0000  0.2168  0.6740  1
  Mn  Mn3  2  0.0000  0.0000  0.1779  1
]