data_[K3Cr1P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.2163]
_cell_length_b [5.0843]
_cell_length_c [21.7195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K3CrP2]
_chemical_formula_sum '[K3 Cr1 P2]'
_cell_volume [465.5973]
_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
[
  K  K0  1  0.0000  0.0000  0.5301  1
  K  K1  1  0.0000  0.5000  0.6702  1
  K  K2  1  0.5000  0.0000  0.3609  1
  Cr  Cr3  1  0.5000  0.5000  0.4616  1
  P  P4  1  0.0000  0.5000  0.4152  1
  P  P5  1  0.5000  0.5000  0.5620  1
]