# generated using pymatgen
data_Zr4CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49946300
_cell_length_b   6.49946300
_cell_length_c   5.42535400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4CuP
_chemical_formula_sum   'Zr8 Cu2 P2'
_cell_volume   229.18333367
_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
  Zr  Zr0  1  0.16103800  0.65349700  0.50000000  1.0
  Zr  Zr1  1  0.65349700  0.83896200  0.50000000  1.0
  Zr  Zr2  1  0.34650300  0.16103800  0.50000000  1.0
  Zr  Zr3  1  0.83896200  0.65349700  0.00000000  1.0
  Zr  Zr4  1  0.83896200  0.34650300  0.50000000  1.0
  Zr  Zr5  1  0.34650300  0.83896200  0.00000000  1.0
  Zr  Zr6  1  0.65349700  0.16103800  0.00000000  1.0
  Zr  Zr7  1  0.16103800  0.34650300  0.00000000  1.0
  Cu  Cu8  1  0.00000000  0.00000000  0.25000000  1.0
  Cu  Cu9  1  0.00000000  0.00000000  0.75000000  1.0
  P  P10  1  0.50000000  0.50000000  0.75000000  1.0
  P  P11  1  0.50000000  0.50000000  0.25000000  1.0