data_[Zr4Cr4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1764]
_cell_length_b [5.1234]
_cell_length_c [6.7702]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8933]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrCrP]
_chemical_formula_sum '[Zr4 Cr4 P4]'
_cell_volume [179.5262]
_cell_formula_units_Z [4]
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  4  0.2450  0.0000  0.3490  1.0
  Cr  Cr1  4  0.0000  0.2200  0.0000  1.0
  P  P2  4  0.2366  0.5000  0.2349  1.0
]