data_[Pr3In7Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6050]
_cell_length_b [4.5432]
_cell_length_c [14.2310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr3In7Ni2]
_chemical_formula_sum '[Pr3 In7 Ni2]'
_cell_volume [293.8313]
_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
[
  Pr  Pr0  2  0.1790  0.0000  0.3618  1.0
  Pr  Pr1  1  0.5000  0.5000  0.0000  1.0
  In  In2  2  0.0895  0.5000  0.1754  1.0
  In  In3  2  0.2803  0.5000  0.5604  1.0
  In  In4  2  0.4130  0.0000  0.8252  1.0
  In  In5  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni6  2  0.3672  0.5000  0.7394  1.0
]