data_[Sm1Zr1Sc2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6155]
_cell_length_b [3.8389]
_cell_length_c [6.6693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SmZr(ScP2)2]
_chemical_formula_sum '[Sm1 Zr1 Sc2 P4]'
_cell_volume [159.7366]
_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
[
  Sm  Sm0  1  0.0000  0.5000  0.5000  1.0
  Zr  Zr1  1  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  1  0.5000  0.0000  0.5000  1.0
  Sc  Sc3  1  0.5000  0.5000  0.0000  1.0
  P  P4  2  0.2570  0.5000  0.2422  1.0
  P  P5  2  0.2646  0.0000  0.7657  1.0
]