data_Sc2CrP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   39.59
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrP
_chemical_formula_sum   'Sc2 Cr1 P1'
_cell_volume   68.88
_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
  Sc  Sc2  1  0.93  0.0  0.89  1.0
  Sc  Sc3  1  0.0  0.0  0.01  1.0
  Cr  Cr0  1  0.93  0.0  0.79  1.0
  P  P1  1  0.0  0.0  0.11  1.0

data_Sc2CrP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.86
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   109.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrP
_chemical_formula_sum   'Sc2 Cr1 P1'
_cell_volume   68.88
_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
  Sc  Sc0  1  0.11  0.93  0.11  1.0
  Sc  Sc1  1  0.99  0.0  0.99  1.0
  Cr  Cr2  1  0.21  0.93  0.21  1.0
  P  P3  1  0.89  0.0  0.89  1.0

Sc Sc Cr P