data_MgCoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoP
_chemical_formula_sum   'Mg2 Co2 P2'
_cell_volume   83.9
_cell_formula_units_Z   2
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  Mg2  1  0.89  0.0  0.96  1.0
  Mg  Mg3  1  0.0  0.89  0.93  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.89  0.89  0.0  1.0
  P  P4  1  0.89  0.0  0.61  1.0
  P  P5  1  0.0  0.89  0.28  1.0

data_MgCoP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.34
_cell_length_b   5.34
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgCoP
_chemical_formula_sum   'Mg4 Co4 P4'
_cell_volume   167.79
_cell_formula_units_Z   4
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  0.93  1.0
  Mg  Mg1  2  0.39  0.5  0.96  1.0
  Co  Co2  4  0.44  0.44  0.0  1.0
  P  P3  2  0.0  0.0  0.28  1.0
  P  P4  2  0.39  0.5  0.61  1.0

Mg Mg Co Co P P