# generated using pymatgen
data_KCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79977300
_cell_length_b   6.84221600
_cell_length_c   18.06872600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCuPO4
_chemical_formula_sum   'K8 Cu8 P8 O32'
_cell_volume   840.65679369
_cell_formula_units_Z   8
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  0.02917300  0.98816000  0.67644800  1.0
  K  K1  1  0.97082700  0.01184000  0.32355200  1.0
  K  K2  1  0.02917300  0.51184000  0.17644800  1.0
  K  K3  1  0.97082700  0.48816000  0.82355200  1.0
  K  K4  1  0.47082700  0.01184000  0.17644800  1.0
  K  K5  1  0.52917300  0.51184000  0.32355200  1.0
  K  K6  1  0.47082700  0.48816000  0.67644800  1.0
  K  K7  1  0.52917300  0.98816000  0.82355200  1.0
  Cu  Cu8  1  0.70179900  0.22484600  0.99333100  1.0
  Cu  Cu9  1  0.20179900  0.22484600  0.50666900  1.0
  Cu  Cu10  1  0.29820100  0.77515400  0.00666900  1.0
  Cu  Cu11  1  0.20179900  0.27515400  0.00666900  1.0
  Cu  Cu12  1  0.79820100  0.77515400  0.49333100  1.0
  Cu  Cu13  1  0.29820100  0.72484600  0.50666900  1.0
  Cu  Cu14  1  0.70179900  0.27515400  0.49333100  1.0
  Cu  Cu15  1  0.79820100  0.72484600  0.99333100  1.0
  P  P16  1  0.46083000  0.98065100  0.39657700  1.0
  P  P17  1  0.03917000  0.01934900  0.89657700  1.0
  P  P18  1  0.03917000  0.48065100  0.39657700  1.0
  P  P19  1  0.96083000  0.51934900  0.60342300  1.0
  P  P20  1  0.53917000  0.01934900  0.60342300  1.0
  P  P21  1  0.53917000  0.48065100  0.10342300  1.0
  P  P22  1  0.46083000  0.51934900  0.89657700  1.0
  P  P23  1  0.96083000  0.98065100  0.10342300  1.0
  O  O24  1  0.88940000  0.65243100  0.40195300  1.0
  O  O25  1  0.75489500  0.03268600  0.07017800  1.0
  O  O26  1  0.38940000  0.65243100  0.09804700  1.0
  O  O27  1  0.46322300  0.30549300  0.05169800  1.0
  O  O28  1  0.53677700  0.69450700  0.94830200  1.0
  O  O29  1  0.61060000  0.15243100  0.40195300  1.0
  O  O30  1  0.11060000  0.15243100  0.09804700  1.0
  O  O31  1  0.74510500  0.53268600  0.07017800  1.0
  O  O32  1  0.05866500  0.08886000  0.81691500  1.0
  O  O33  1  0.96322300  0.30549300  0.44830200  1.0
  O  O34  1  0.25489500  0.03268600  0.42982200  1.0
  O  O35  1  0.11060000  0.34756900  0.59804700  1.0
  O  O36  1  0.88940000  0.84756900  0.90195300  1.0
  O  O37  1  0.55866500  0.08886000  0.68308500  1.0
  O  O38  1  0.44133500  0.58886000  0.81691500  1.0
  O  O39  1  0.55866500  0.41114000  0.18308500  1.0
  O  O40  1  0.75489500  0.46731400  0.57017800  1.0
  O  O41  1  0.46322300  0.19450700  0.55169800  1.0
  O  O42  1  0.44133500  0.91114000  0.31691500  1.0
  O  O43  1  0.94133500  0.58886000  0.68308500  1.0
  O  O44  1  0.25489500  0.46731400  0.92982200  1.0
  O  O45  1  0.24510500  0.96731400  0.92982200  1.0
  O  O46  1  0.38940000  0.84756900  0.59804700  1.0
  O  O47  1  0.53677700  0.80549300  0.44830200  1.0
  O  O48  1  0.24510500  0.53268600  0.42982200  1.0
  O  O49  1  0.05866500  0.41114000  0.31691500  1.0
  O  O50  1  0.94133500  0.91114000  0.18308500  1.0
  O  O51  1  0.96322300  0.19450700  0.94830200  1.0
  O  O52  1  0.03677700  0.80549300  0.05169800  1.0
  O  O53  1  0.61060000  0.34756900  0.90195300  1.0
  O  O54  1  0.03677700  0.69450700  0.55169800  1.0
  O  O55  1  0.74510500  0.96731400  0.57017800  1.0