data_[Sc4Cr2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.2962]
_cell_length_b [3.2155]
_cell_length_c [4.5055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8023]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sc2CrP]
_chemical_formula_sum '[Sc4 Cr2 P2]'
_cell_volume [140.3460]
_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  0.0281  0.0000  0.0611  1
  Sc  Sc1  2  0.2422  0.0000  0.7214  1
  Cr  Cr2  2  0.4519  0.0000  0.4825  1
  P  P3  2  0.2779  0.5000  0.2350  1
]