data_ZrMn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   135.68
_cell_angle_beta   135.68
_cell_angle_gamma   64.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Co
_chemical_formula_sum   'Zr1 Mn2 Co1'
_cell_volume   53.57
_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  Zr3  1  0.0  0.0  0.07  1.0
  Mn  Mn1  1  0.81  0.0  0.03  1.0
  Mn  Mn2  1  0.0  0.81  0.03  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_ZrMn2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   122.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMn2Co
_chemical_formula_sum   'Zr2 Mn4 Co2'
_cell_volume   107.14
_cell_formula_units_Z   2
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
  Zr  Zr0  2  0.0  0.0  0.07  1.0
  Mn  Mn1  4  0.09  0.91  0.22  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0

Zr Mn Mn Co