data_[Pm2Mg22In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.9305]
_cell_length_b [14.5055]
_cell_length_c [7.7716]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmMg11In]
_chemical_formula_sum '[Pm2 Mg22 In2]'
_cell_volume [620.3830]
_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
[
  Pm  Pm0  2  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.1084  0.3943  0.2113  1
  Mg  Mg2  8  0.1722  0.1759  0.3514  1
  Mg  Mg3  4  0.2500  0.2500  0.0000  1
  Mg  Mg4  2  0.0000  0.0000  0.5000  1
  In  In5  2  0.0000  0.5000  0.5000  1
]