# generated using pymatgen
data_MgCuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82388056
_cell_length_b   6.49505256
_cell_length_c   7.07046514
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCuP
_chemical_formula_sum   'Mg4 Cu4 P4'
_cell_volume   175.60423027
_cell_formula_units_Z   4
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
  Mg  Mg0  1  0.75000000  0.46904133  0.31838746  1.0
  Mg  Mg1  1  0.25000000  0.53095867  0.68161254  1.0
  Mg  Mg2  1  0.75000000  0.96904133  0.18161254  1.0
  Mg  Mg3  1  0.25000000  0.03095767  0.81838746  1.0
  Cu  Cu4  1  0.25000000  0.12787266  0.43766122  1.0
  Cu  Cu5  1  0.25000000  0.62787266  0.06233878  1.0
  Cu  Cu6  1  0.75000000  0.37212734  0.93766122  1.0
  Cu  Cu7  1  0.75000000  0.87212734  0.56233878  1.0
  P  P8  1  0.75000000  0.24570611  0.62044370  1.0
  P  P9  1  0.25000000  0.25429389  0.12044370  1.0
  P  P10  1  0.25000000  0.75429389  0.37955630  1.0
  P  P11  1  0.75000000  0.74570611  0.87955630  1.0