ZrCuSiP

# generated using pymatgen
data_ZrCuSiP
_symmetry_space_group_name_H-M   P4/nmm
_cell_length_a   3.59348400
_cell_length_b   3.59348400
_cell_length_c   9.52637700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   129
_chemical_formula_structural   ZrCuSiP
_chemical_formula_sum   'Zr2 Cu2 Si2 P2'
_cell_volume   123.01531851
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y+1/2, x+1/2, z'
  3  '-x, -y, z'
  4  'y+1/2, -x+1/2, z'
  5  'x+1/2, -y+1/2, -z'
  6  '-y, -x, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'y, x, -z'
  9  '-x+1/2, -y+1/2, -z'
  10  'y, -x, -z'
  11  'x+1/2, y+1/2, -z'
  12  '-y, x, -z'
  13  '-x, y, z'
  14  'y+1/2, x+1/2, z'
  15  'x, -y, z'
  16  '-y+1/2, -x+1/2, 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  2  0.00000000  0.50000000  0.77138300  1
  Si  Si1  2  0.00000000  0.00000000  0.00000000  1
  Cu  Cu2  2  0.00000000  0.00000000  0.50000000  1
  P  P3  2  0.00000000  0.50000000  0.32818700  1