data_[K6Ga4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.7285]
_cell_length_b [3.9878]
_cell_length_c [7.5209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3(GaP2)2]
_chemical_formula_sum '[K6 Ga4 P8]'
_cell_volume [460.1909]
_cell_formula_units_Z [2]
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  4  0.1507  0.0000  0.7692  1
  K  K1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.1691  0.5000  0.4156  1
  P  P3  4  0.0153  0.5000  0.3747  1
  P  P4  4  0.2038  0.0000  0.2700  1
]