data_[Er3Pa3Mn51]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5880]
_cell_length_b [8.5880]
_cell_length_c [11.6187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [ErPaMn17]
_chemical_formula_sum '[Er3 Pa3 Mn51]'
_cell_volume [742.1149]
_cell_formula_units_Z [3]
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
[
  Er  Er0  3  0.0000  0.0000  0.3529  1
  Pa  Pa1  3  0.0000  0.0000  0.6478  1
  Mn  Mn2  18  0.0598  0.3920  0.6673  1
  Mn  Mn3  9  0.0061  0.5031  0.8617  1
  Mn  Mn4  9  0.1682  0.3364  0.8361  1
  Mn  Mn5  9  0.1734  0.3467  0.4690  1
  Mn  Mn6  3  0.0000  0.0000  0.0989  1
  Mn  Mn7  3  0.0000  0.0000  0.8966  1
]