# generated using pymatgen
data_CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33456390
_cell_length_b   3.06317917
_cell_length_c   5.94818906
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP
_chemical_formula_sum   'Cr4 P4'
_cell_volume   97.19772179
_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
  Cr  Cr0  1  0.25000000  0.50885300  0.69007700  1
  Cr  Cr1  1  0.75000000  0.49114700  0.30992300  1
  Cr  Cr2  1  0.25000000  0.00885300  0.80992300  1
  Cr  Cr3  1  0.75000000  0.99114700  0.19007700  1
  P  P4  1  0.25000000  0.68268300  0.06444600  1
  P  P5  1  0.75000000  0.31731700  0.93555400  1
  P  P6  1  0.25000000  0.18268300  0.43555400  1
  P  P7  1  0.75000000  0.81731700  0.56444600  1
