data_CoMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   139.15
_cell_angle_beta   128.77
_cell_angle_gamma   67.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2P
_chemical_formula_sum   'Co1 Mo2 P1'
_cell_volume   53.71
_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
  Co  Co0  1  0.0  0.0  0.95  1.0
  Mo  Mo1  1  0.66  0.0  0.89  1.0
  Mo  Mo2  1  0.0  0.05  0.06  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_CoMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.11
_cell_length_c   4.75
_cell_angle_alpha   115.61
_cell_angle_beta   110.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2P
_chemical_formula_sum   'Co1 Mo2 P1'
_cell_volume   53.71
_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
  Co  Co0  1  0.05  0.05  0.05  1.0
  Mo  Mo1  1  0.77  0.11  0.77  1.0
  Mo  Mo2  1  0.94  0.99  0.99  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Co Mo Mo P