data_[Sc4Ni2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.2266]
_cell_length_b [3.7566]
_cell_length_c [7.3174]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7782]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sc2NiP]
_chemical_formula_sum '[Sc4 Ni2 P2]'
_cell_volume [134.3253]
_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
[
  Sc  Sc0  2  0.2235  0.2500  0.4389  1.0
  Sc  Sc1  2  0.2989  0.7500  0.0840  1.0
  Ni  Ni2  2  0.3535  0.7500  0.7173  1.0
  P  P3  2  0.1344  0.2500  0.7912  1.0
]