data_MgMoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   145.12
_cell_angle_beta   145.12
_cell_angle_gamma   50.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMoP
_chemical_formula_sum   'Mg1 Mo1 P1'
_cell_volume   48.18
_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
  Mg  Mg0  1  0.0  0.0  0.02  1.0
  Mo  Mo1  1  0.0  0.0  0.9  1.0
  P  P2  1  0.0  0.0  0.66  1.0

data_MgMoP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   115.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgMoP
_chemical_formula_sum   'Mg2 Mo2 P2'
_cell_volume   96.36
_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
  Mg  Mg0  2  0.0  0.0  0.98  1.0
  Mo  Mo1  2  0.0  0.0  0.1  1.0
  P  P2  2  0.0  0.0  0.34  1.0

Mg Mo P
Mg Mo P 0 1 o o - 1 2 o o o 