data_CaNbMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   152.87
_cell_angle_beta   135.36
_cell_angle_gamma   53.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbMo
_chemical_formula_sum   'Ca1 Nb1 Mo1'
_cell_volume   63.67
_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
  Ca  Ca0  1  0.0  0.0  0.04  1.0
  Nb  Nb2  1  0.0  0.0  0.22  1.0
  Mo  Mo1  1  0.0  0.0  0.2  1.0

data_CaNbMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.44
_cell_length_c   5.84
_cell_angle_alpha   112.32
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbMo
_chemical_formula_sum   'Ca1 Nb1 Mo1'
_cell_volume   63.67
_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
  Ca  Ca0  1  0.0  0.04  0.04  1.0
  Nb  Nb1  1  0.0  0.22  0.22  1.0
  Mo  Mo2  1  0.0  0.2  0.2  1.0

Ca Nb Mo