data_Mn2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   2.76
_cell_angle_alpha   104.33
_cell_angle_beta   104.33
_cell_angle_gamma   118.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2MoP
_chemical_formula_sum   'Mn2 Mo1 P1'
_cell_volume   51.29
_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
  Mn  Mn0  1  0.6  0.1  0.21  1.0
  Mn  Mn1  1  0.6  0.9  0.21  1.0
  Mo  Mo2  1  0.52  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mn2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.43
_cell_length_c   4.91
_cell_angle_alpha   115.52
_cell_angle_beta   104.33
_cell_angle_gamma   94.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2MoP
_chemical_formula_sum   'Mn2 Mo1 P1'
_cell_volume   51.29
_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
  Mn  Mn0  1  0.1  0.9  0.49  1.0
  Mn  Mn1  1  0.31  0.1  0.7  1.0
  Mo  Mo2  1  0.0  0.0  0.52  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Mn Mn Mo P