data_[Zr1As2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.6734]
_cell_length_b [3.4416]
_cell_length_c [6.2045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrAs2P]
_chemical_formula_sum '[Zr1 As2 P1]'
_cell_volume [75.6490]
_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  0.5142  0.5000  0.2680  1
  As  As1  1  0.4737  0.5000  0.7353  1
  As  As2  1  0.9072  0.0000  0.0279  1
  P  P3  1  0.1049  0.0000  0.4689  1
]