data_[Sr2Sc4P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.6120]
_cell_length_b [3.5678]
_cell_length_c [6.2682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrSc2P]
_chemical_formula_sum '[Sr2 Sc4 P2]'
_cell_volume [220.6165]
_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
[
  Sr  Sr0  2  0.4413  0.0000  0.3877  1
  Sc  Sc1  2  0.0785  0.0000  0.0230  1
  Sc  Sc2  2  0.2738  0.0000  0.7162  1
  P  P3  2  0.2064  0.5000  0.3731  1
]