data_Na2YMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56
_cell_length_b   6.56
_cell_length_c   6.56
_cell_angle_alpha   153.74
_cell_angle_beta   124.23
_cell_angle_gamma   62.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YMo
_chemical_formula_sum   'Na2 Y1 Mo1'
_cell_volume   102.42
_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
  Na  Na1  1  0.0  0.0  0.05  1.0
  Na  Na2  1  0.49  0.0  0.72  1.0
  Y  Y3  1  0.0  0.0  0.94  1.0
  Mo  Mo0  1  0.0  0.07  0.71  1.0

data_Na2YMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   6.13
_cell_length_c   6.56
_cell_angle_alpha   117.88
_cell_angle_beta   103.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YMo
_chemical_formula_sum   'Na2 Y1 Mo1'
_cell_volume   102.42
_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
  Na  Na0  1  0.0  0.05  0.05  1.0
  Na  Na1  1  0.0  0.72  0.23  1.0
  Y  Y2  1  0.0  0.94  0.94  1.0
  Mo  Mo3  1  0.93  0.64  0.64  1.0

Na Na Y Mo