data_LaCrP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.82
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   152.44
_cell_angle_beta   149.74
_cell_angle_gamma   41.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrP2
_chemical_formula_sum   'La1 Cr1 P2'
_cell_volume   73.69
_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
  La  La1  1  0.0  0.78  0.58  1.0
  Cr  Cr0  1  0.0  0.0  0.78  1.0
  P  P2  1  0.0  0.0  0.22  1.0
  P  P3  1  0.62  0.0  0.17  1.0

data_LaCrP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.56
_cell_length_c   6.82
_cell_angle_alpha   105.13
_cell_angle_beta   103.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCrP2
_chemical_formula_sum   'La1 Cr1 P2'
_cell_volume   73.69
_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
  La  La0  1  0.42  0.2  0.2  1.0
  Cr  Cr1  1  0.22  0.22  0.22  1.0
  P  P2  1  0.45  0.83  0.45  1.0
  P  P3  1  0.78  0.78  0.78  1.0

La Cr P P
La Cr P P 0 1 o + o 0 3 o + + 0 3 - + o 1 3 o o + 1 3 - o o 2 3 - o o 
LaCrP2 crystallizes in the triclinic P1 space group. La(1) is bonded in a single-bond geometry to one Cr(1), two equivalent P(1), and two equivalent P(2) atoms. The La(1)-Cr(1) bond length is 0.70 Å. There is one shorter (3.12 Å) and one longer (3.34 Å) La(1)-P(1) bond length. There is one shorter (2.41 Å) and one longer (2.43 Å) La(1)-P(2) bond length. Cr(1) is bonded in a single-bond geometry to one La(1), one P(1), and two equivalent P(2) atoms. The Cr(1)-P(1) bond length is 3.01 Å. There is one shorter (2.32 Å) and one longer (2.36 Å) Cr(1)-P(2) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 4-coordinate geometry to two equivalent La(1), one Cr(1), and one P(2) atom. The P(1)-P(2) bond length is 2.28 Å. In the second P site, P(2) is bonded in a 5-coordinate geometry to two equivalent La(1), two equivalent Cr(1), and one P(1) atom.