data_Na2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   144.12
_cell_angle_beta   144.12
_cell_angle_gamma   51.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MoP
_chemical_formula_sum   'Na2 Mo1 P1'
_cell_volume   68.83
_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  0.81  0.64  1.0
  Na  Na2  1  0.81  0.0  0.64  1.0
  Mo  Mo0  1  0.0  0.0  0.28  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Na2MoP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   115.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2MoP
_chemical_formula_sum   'Na4 Mo2 P2'
_cell_volume   137.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.4  0.83  1.0
  Mo  Mo1  2  0.28  0.0  0.28  1.0
  P  P2  2  0.0  0.0  0.0  1.0

Na Na Mo P