data_Zr2BeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.22
_cell_angle_alpha   96.96
_cell_angle_beta   96.96
_cell_angle_gamma   93.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeCo
_chemical_formula_sum   'Zr2 Be1 Co1'
_cell_volume   62.15
_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  0.23  0.39  0.59  1.0
  Zr  Zr3  1  0.23  0.61  0.59  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.03  0.0  0.0  1.0

data_Zr2BeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   93.52
_cell_angle_beta   96.96
_cell_angle_gamma   96.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2BeCo
_chemical_formula_sum   'Zr2 Be1 Co1'
_cell_volume   62.15
_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  0.59  0.23  0.39  1.0
  Zr  Zr1  1  0.59  0.23  0.61  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.03  0.0  1.0

Zr Zr Be Co