data_[Zr1Si1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.7073]
_cell_length_b [3.6524]
_cell_length_c [5.3571]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrSiP2]
_chemical_formula_sum '[Zr1 Si1 P2]'
_cell_volume [68.0995]
_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
[
  Zr  Zr0  1  0.6248  0.5000  0.2066  1.0
  Si  Si1  1  0.9675  0.0000  0.6183  1.0
  P  P2  1  0.0456  0.0000  0.0509  1.0
  P  P3  1  0.3621  0.5000  0.6243  1.0
]