data_Cr2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   143.1
_cell_angle_beta   131.71
_cell_angle_gamma   62.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2MoP
_chemical_formula_sum   'Cr2 Mo1 P1'
_cell_volume   49.62
_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  0.97  0.08  1.0
  Cr  Cr1  1  0.0  0.0  0.03  1.0
  Mo  Mo2  1  0.53  0.0  0.12  1.0
  P  P3  1  0.0  0.0  0.26  1.0

data_Cr2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.94
_cell_length_c   4.82
_cell_angle_alpha   114.15
_cell_angle_beta   108.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2MoP
_chemical_formula_sum   'Cr2 Mo1 P1'
_cell_volume   49.62
_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  0.92  0.89  0.89  1.0
  Cr  Cr1  1  0.97  0.97  0.97  1.0
  Mo  Mo2  1  0.4  0.88  0.4  1.0
  P  P3  1  0.74  0.74  0.74  1.0

Cr Cr Mo P