data_LaFe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   132.67
_cell_angle_beta   111.7
_cell_angle_gamma   87.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2P
_chemical_formula_sum   'La1 Fe2 P1'
_cell_volume   64.15
_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  La2  1  0.0  0.0  0.34  1.0
  Fe  Fe0  1  0.0  0.59  0.05  1.0
  Fe  Fe1  1  0.85  0.0  0.29  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_LaFe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   68.3
_cell_angle_beta   66.34
_cell_angle_gamma   66.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2P
_chemical_formula_sum   'La1 Fe2 P1'
_cell_volume   64.15
_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  0.0  0.0  0.34  1.0
  Fe  Fe1  1  0.0  0.15  0.29  1.0
  Fe  Fe2  1  0.59  -0.0  0.46  1.0
  P  P3  1  0.0  0.0  0.0  1.0

La Fe Fe P