data_[Cr4P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2841]
_cell_length_b [16.8131]
_cell_length_c [16.8131]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4P3]
_chemical_formula_sum '[Cr4 P3]'
_cell_volume [1048.7922]
_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
[
  Cr  Cr0  1  0.3354  0.4477  0.5207  1
  Cr  Cr1  1  0.5202  0.5730  0.5543  1
  Cr  Cr2  1  0.8906  0.4123  0.4103  1
  Cr  Cr3  1  0.9711  0.5558  0.4519  1
  P  P4  1  0.0220  0.6038  0.6115  1
  P  P5  1  0.4259  0.4691  0.3886  1
  P  P6  1  0.8348  0.4384  0.5626  1
]