data_MgCo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.5
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2P
_chemical_formula_sum   'Mg1 Co2 P1'
_cell_volume   50.79
_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  Mg2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.98  0.75  0.67  1.0
  Co  Co1  1  0.43  0.75  0.5  1.0
  P  P3  1  0.3  0.0  0.59  1.0

data_MgCo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.5
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo2P
_chemical_formula_sum   'Mg1 Co2 P1'
_cell_volume   50.79
_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  0.0  1.0
  Co  Co1  1  0.43  0.75  0.5  1.0
  Co  Co2  1  0.98  0.75  0.67  1.0
  P  P3  1  0.3  0.0  0.59  1.0

Mg Co Co P
Mg Co Co P 0 1 - - - 1 2 o o o 1 2 + o o 1 3 + + o 2 3 o + o 