# generated using pymatgen
data_ScCoPH
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64518415
_cell_length_b   3.64518415
_cell_length_c   6.80001019
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoPH
_chemical_formula_sum   'Sc2 Co2 P2 H2'
_cell_volume   90.35423430
_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
  Sc  Sc0  1  0.00000000  0.50000000  0.83947141  1.0
  Sc  Sc1  1  0.50000000  0.00000000  0.16052859  1.0
  Co  Co2  1  0.50000000  0.50000000  0.50000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  P  P4  1  0.00000000  0.50000000  0.32155146  1.0
  P  P5  1  0.50000000  0.00000000  0.67844854  1.0
  H  H6  1  0.50000000  0.50000000  0.00000000  1.0
  H  H7  1  0.00000000  0.00000000  0.00000000  1.0