data_[Sc1Cu3P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.5586]
_cell_length_b [18.9550]
_cell_length_c [4.6103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5712]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sc(CuP)3]
_chemical_formula_sum '[Sc1 Cu3 P3]'
_cell_volume [362.2965]
_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
[
  Sc  Sc0  1  0.7908  0.5000  0.1973  1
  Cu  Cu1  2  0.2663  0.4045  0.1524  1
  Cu  Cu2  1  0.4726  0.5000  0.5758  1
  P  P3  2  0.1965  0.3957  0.6183  1
  P  P4  1  0.0482  0.5000  0.7928  1
]