data_CrAsP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   142.07
_cell_angle_beta   142.07
_cell_angle_gamma   54.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAsP2
_chemical_formula_sum   'Cr1 As1 P2'
_cell_volume   63.46
_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  0.91  1.0
  As  As0  1  0.8  0.0  0.46  1.0
  P  P2  1  0.0  0.8  0.46  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CrAsP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.53
_cell_angle_alpha   108.96
_cell_angle_beta   108.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAsP2
_chemical_formula_sum   'Cr1 As1 P2'
_cell_volume   63.46
_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  0.09  0.0  0.09  1.0
  As  As1  1  0.54  0.0  0.34  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.34  0.8  0.34  1.0

Cr As P P