data_MnCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   4.01
_cell_angle_alpha   102.29
_cell_angle_beta   102.29
_cell_angle_gamma   40.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoP2
_chemical_formula_sum   'Mn1 Co1 P2'
_cell_volume   44.07
_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  Mn1  1  0.3  0.0  0.27  1.0
  Co  Co0  1  0.42  0.0  0.66  1.0
  P  P2  1  0.9  0.0  0.63  1.0
  P  P3  1  0.61  0.0  0.21  1.0

data_MnCoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.01
_cell_length_c   4.16
_cell_angle_alpha   102.29
_cell_angle_beta   110.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoP2
_chemical_formula_sum   'Mn1 Co1 P2'
_cell_volume   44.07
_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  0.0  0.27  0.3  1.0
  Co  Co1  1  0.0  0.66  0.42  1.0
  P  P2  1  0.0  0.21  0.61  1.0
  P  P3  1  0.0  0.63  0.9  1.0

Mn Co P P
Mn Co P P 0 3 o o o 0 1 o o o 1 2 o o o 1 2 - o o 2 3 o o o 