data_Zr2MnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   122.85
_cell_angle_beta   118.6
_cell_angle_gamma   88.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCo
_chemical_formula_sum   'Zr2 Mn1 Co1'
_cell_volume   63.71
_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
  Zr  Zr2  1  0.0  0.3  0.62  1.0
  Zr  Zr3  1  0.15  0.0  0.6  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0

data_Zr2MnCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   61.4
_cell_angle_beta   61.43
_cell_angle_gamma   61.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnCo
_chemical_formula_sum   'Zr2 Mn1 Co1'
_cell_volume   63.71
_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
  Zr  Zr0  1  0.0  0.85  0.6  1.0
  Zr  Zr1  1  0.3  -0.0  0.32  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.22  1.0

Zr Zr Mn Co