data_CrAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.08
_cell_angle_alpha   94.49
_cell_angle_beta   94.49
_cell_angle_gamma   44.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAsP2
_chemical_formula_sum   'Cr1 As1 P2'
_cell_volume   61.47
_cell_formula_units_Z   1
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  Cr1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.66  0.0  0.53  1.0
  P  P2  1  0.49  0.0  0.85  1.0
  P  P3  1  0.83  0.0  0.21  1.0

data_CrAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.18
_cell_length_c   5.08
_cell_angle_alpha   94.49
_cell_angle_beta   90.0
_cell_angle_gamma   112.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAsP2
_chemical_formula_sum   'Cr1 As1 P2'
_cell_volume   61.47
_cell_formula_units_Z   1
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  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.34  0.47  1.0
  P  P2  1  0.0  0.17  0.79  1.0
  P  P3  1  0.0  0.51  0.15  1.0

Cr As P P