data_ZrMn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   142.61
_cell_angle_beta   131.33
_cell_angle_gamma   62.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Co
_chemical_formula_sum   'Zr1 Mn2 Co1'
_cell_volume   59.47
_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  0.63  0.0  0.23  1.0
  Mn  Mn1  1  0.63  0.0  0.19  1.0
  Mn  Mn2  1  0.0  0.0  0.54  1.0
  Co  Co0  1  0.0  0.0  0.08  1.0

data_ZrMn2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.2
_cell_length_c   5.09
_cell_angle_alpha   114.33
_cell_angle_beta   108.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Co
_chemical_formula_sum   'Zr1 Mn2 Co1'
_cell_volume   59.47
_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  0.23  0.59  1.0
  Mn  Mn1  1  0.0  0.19  0.55  1.0
  Mn  Mn2  1  0.0  0.54  0.54  1.0
  Co  Co3  1  0.0  0.08  0.08  1.0

Zr Mn Mn Co