data_[Cd3As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7035]
_cell_length_b [19.1349]
_cell_length_c [6.0417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7296]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd3AsP]
_chemical_formula_sum '[Cd3 As1 P1]'
_cell_volume [608.1651]
_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
[
  Cd  Cd0  2  0.5758  0.1080  0.2272  1
  Cd  Cd1  1  0.0743  0.0000  0.7155  1
  As  As2  1  0.5618  0.0000  0.9075  1
  P  P3  1  0.6041  0.0000  0.5279  1
]